3-[2-(1,3-benzothiazol-6-yl)pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-fluoro-4-(trifluoromethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-morpholin-4-ylpyridine-4-carboxamide

C101H117F4N21O7S — CID 160762882

IUPAC3-[2-(1,3-benzothiazol-6-yl)pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-fluoro-4-(trifluoromethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-morpholin-4-ylpyridine-4-carboxamide
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(C(F)(F)F)cc1F)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(-c3ccc4ncsc4c3)nc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(N3CCOCC3)cc1C(N)=O)C(=O)N2.Cc1noc(C)c1-c1ncc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)NC2=O)cn1
InChIInChI=1S/C27H28N6OS.C26H34N6O3.C25H30N6O2.C23H25F4N3O/c1-32(2)27(20-6-4-3-5-7-20)12-10-26(11-13-27)17-33(25(34)31-26)21-15-28-24(29-16-21)19-8-9-22-23(14-19)35-18-30-22;1-30(2)26(19-6-4-3-5-7-19)10-8-25(9-11-26)18-32(24(34)29-25)21-17-28-22(16-20(21)23(27)33)31-12-14-35-15-13-31;1-17-21(18(2)33-29-17)22-26-14-20(15-27-22)31-16-24(28-23(31)32)10-12-25(13-11-24,30(3)4)19-8-6-5-7-9-19;1-29(2)22(16-6-4-3-5-7-16)12-10-21(11-13-22)15-30(20(31)28-21)19-9-8-17(14-18(19)24)23(25,26)27/h3-9,14-16,18H,10-13,17H2,1-2H3,(H,31,34);3-7,16-17H,8-15,18H2,1-2H3,(H2,27,33)(H,29,34);5-9,14-15H,10-13,16H2,1-4H3,(H,28,32);3-9,14H,10-13,15H2,1-2H3,(H,28,31)
InChIKeyRYHLPNXMTIFCIR-UHFFFAOYSA-N
MW1845.25 g/mol
LogP16.56
Rot. Bonds16

About 3-[2-(1,3-benzothiazol-6-yl)pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-fluoro-4-(trifluoromethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-morpholin-4-ylpyridine-4-carboxamide

3-[2-(1,3-benzothiazol-6-yl)pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-fluoro-4-(trifluoromethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-morpholin-4-ylpyridine-4-carboxamide (PubChem CID 160762882) has the molecular formula C101H117F4N21O7S and a molecular weight of 1845.25 g/mol. Its IUPAC name is 3-[2-(1,3-benzothiazol-6-yl)pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-fluoro-4-(trifluoromethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-morpholin-4-ylpyridine-4-carboxamide.

Molecular Properties

Compound Name3-[2-(1,3-benzothiazol-6-yl)pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-fluoro-4-(trifluoromethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-morpholin-4-ylpyridine-4-carboxamide
PubChem CID160762882
Molecular FormulaC101H117F4N21O7S
Molecular Weight1845.25 g/mol
Exact Mass1843.91
IUPAC Name3-[2-(1,3-benzothiazol-6-yl)pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-fluoro-4-(trifluoromethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-morpholin-4-ylpyridine-4-carboxamide
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(C(F)(F)F)cc1F)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(-c3ccc4ncsc4c3)nc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(N3CCOCC3)cc1C(N)=O)C(=O)N2.Cc1noc(C)c1-c1ncc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)NC2=O)cn1
InChIInChI=1S/C27H28N6OS.C26H34N6O3.C25H30N6O2.C23H25F4N3O/c1-32(2)27(20-6-4-3-5-7-20)12-10-26(11-13-27)17-33(25(34)31-26)21-15-28-24(29-16-21)19-8-9-22-23(14-19)35-18-30-22;1-30(2)26(19-6-4-3-5-7-19)10-8-25(9-11-26)18-32(24(34)29-25)21-17-28-22(16-20(21)23(27)33)31-12-14-35-15-13-31;1-17-21(18(2)33-29-17)22-26-14-20(15-27-22)31-16-24(28-23(31)32)10-12-25(13-11-24,30(3)4)19-8-6-5-7-9-19;1-29(2)22(16-6-4-3-5-7-16)12-10-21(11-13-22)15-30(20(31)28-21)19-9-8-17(14-18(19)24)23(25,26)27/h3-9,14-16,18H,10-13,17H2,1-2H3,(H,31,34);3-7,16-17H,8-15,18H2,1-2H3,(H2,27,33)(H,29,34);5-9,14-15H,10-13,16H2,1-4H3,(H,28,32);3-9,14H,10-13,15H2,1-2H3,(H,28,31)
InChIKeyRYHLPNXMTIFCIR-UHFFFAOYSA-N
XLogP16.56
TPSA301.25 Ų
H-Bond Donors5
H-Bond Acceptors20
Rotatable Bonds16
Heavy Atoms134
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001845.25
LogP ≤ 516.56
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1020

Analyze 3-[2-(1,3-benzothiazol-6-yl)pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-fluoro-4-(trifluoromethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-morpholin-4-ylpyridine-4-carboxamide with MolForge

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Related Compounds

N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide;N-[2-[4-(1,1-difluoroethyl)-2-nitroanilino]ethyl]-4,6-dimethyl-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]pyridine-3-carboxamide;N-[2-[4-(1,1-difluoroethyl)-2-nitroanilino]ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]pyridine-3-carboxamide;N-[2-[4-(1,1-difluoroethyl)-2-nitroanilino]ethyl]-4-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]pyrimidine-5-carboxamide;N-[2-[[5-(1,1-difluoroethyl)-2-pyridinyl]amino]ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide
CID 157281815
CID 158593819
CID 158593819
3-[2-(1,3-Benzothiazol-6-yl)pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-benzyl-8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-fluoro-4-(trifluoromethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(6-morpholin-4-yl-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-morpholin-4-ylpyridine-4-carboxamide;8-(dimethylamino)-8-phenyl-3-(2-phenyl-1,3-thiazol-4-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[2-(piperazine-1-carbonyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one
CID 159077906
3-[2-(1,3-Benzothiazol-6-yl)pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-fluoro-4-(trifluoromethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(6-morpholin-4-yl-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-phenyl-1,3-thiazol-4-yl)-1,3-diazaspiro[4.5]decan-2-one
CID 159985239
CID 161132800
CID 161132800
N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide;N-[2-[4-(1,1-difluoroethyl)-2-nitroanilino]ethyl]-4,6-dimethyl-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]pyridine-3-carboxamide;N-[2-[4-(1,1-difluoroethyl)-2-nitroanilino]ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]pyridine-3-carboxamide;N-[2-[4-(1,1-difluoroethyl)-2-nitroanilino]ethyl]-4-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]pyrimidine-5-carboxamide;N-ethyl-2-[4-[2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 161137349
(5S)-5-[4-(1,3-benzothiazol-6-yl)phenyl]-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(9-methylpurin-6-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-phenyl-1,2-oxazol-5-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-pyridin-2-ylthiophen-2-yl)phenyl]imidazolidine-2,4-dione
CID 161398979

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1,3-benzothiazol-6-yl)pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-fluoro-4-(trifluoromethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-morpholin-4-ylpyridine-4-carboxamide?
The IUPAC name of 3-[2-(1,3-benzothiazol-6-yl)pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-fluoro-4-(trifluoromethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-morpholin-4-ylpyridine-4-carboxamide (CID 160762882) is 3-[2-(1,3-benzothiazol-6-yl)pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-fluoro-4-(trifluoromethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-morpholin-4-ylpyridine-4-carboxamide.
What is the SMILES notation for 3-[2-(1,3-benzothiazol-6-yl)pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-fluoro-4-(trifluoromethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-morpholin-4-ylpyridine-4-carboxamide?
The canonical SMILES for 3-[2-(1,3-benzothiazol-6-yl)pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-fluoro-4-(trifluoromethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-morpholin-4-ylpyridine-4-carboxamide is CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(C(F)(F)F)cc1F)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(-c3ccc4ncsc4c3)nc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(N3CCOCC3)cc1C(N)=O)C(=O)N2.Cc1noc(C)c1-c1ncc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)NC2=O)cn1.
What is the InChIKey of 3-[2-(1,3-benzothiazol-6-yl)pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-fluoro-4-(trifluoromethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-morpholin-4-ylpyridine-4-carboxamide?
The InChIKey is RYHLPNXMTIFCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6OS.C26H34N6O3.C25H30N6O2.C23H25F4N3O/c1-32(2)27(20-6-4-3-5-7-20)12-10-26(11-13-27)17-33(25(34)31-26)21-15-28-24(29-16-21)19-8-9-22-23(14-19)35-18-30-22;1-30(2)26(19-6-4-3-5-7-19)10-8-25(9-11-26)18-32(24(34)29-25)21-17-28-22(16-20(21)23(27)33)31-12-14-35-15-13-31;1-17-21(18(2)33-29-17)22-26-14-20(15-27-22)31-16-24(28-23(31)32)10-12-25(13-11-24,30(3)4)19-8-6-5-7-9-19;1-29(2)22(16-6-4-3-5-7-16)12-10-21(11-13-22)15-30(20(31)28-21)19-9-8-17(14-18(19)24)23(25,26)27/h3-9,14-16,18H,10-13,17H2,1-2H3,(H,31,34);3-7,16-17H,8-15,18H2,1-2H3,(H2,27,33)(H,29,34);5-9,14-15H,10-13,16H2,1-4H3,(H,28,32);3-9,14H,10-13,15H2,1-2H3,(H,28,31).
What are the key properties of 3-[2-(1,3-benzothiazol-6-yl)pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-fluoro-4-(trifluoromethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-morpholin-4-ylpyridine-4-carboxamide?
3-[2-(1,3-benzothiazol-6-yl)pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-fluoro-4-(trifluoromethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-morpholin-4-ylpyridine-4-carboxamide has a molecular weight of 1845.25 g/mol, XLogP of 16.56, 16 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1,3-benzothiazol-6-yl)pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-fluoro-4-(trifluoromethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-morpholin-4-ylpyridine-4-carboxamide is sourced from PubChem (CID 160762882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).