N-[4-acetyl-2-(2,7-diazaspiro[4.5]decan-7-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;N-[2-(7-azaspiro[4.5]decan-7-yl)phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-(3-azaspiro[5.5]undecan-3-yl)phenyl]-2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide;N-[2-[4-carbamoyl-4-(dimethylamino)piperidin-1-yl]phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]-3-methylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide

C111H128N28O8S6 — CID 158813001

IUPACN-[4-acetyl-2-(2,7-diazaspiro[4.5]decan-7-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;N-[2-(7-azaspiro[4.5]decan-7-yl)phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-(3-azaspiro[5.5]undecan-3-yl)phenyl]-2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide;N-[2-[4-carbamoyl-4-(dimethylamino)piperidin-1-yl]phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]-3-methylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2csc(-c3cccs3)n2)c(N2CCCC3(CCNC3)C2)c1.CN(C)C1(C(N)=O)CCN(c2ccccc2NC(=O)c2csc(-c3cn[nH]c3)n2)CC1.CNC1(C(N)=O)CCN(c2c(C)cccc2NC(=O)c2csc(-c3cn[nH]c3)n2)CC1.O=C(Nc1ccccc1N1CCC2(CCCCC2)CC1)c1csc(-c2ccn[nH]2)n1.O=C(Nc1ccccc1N1CCCC2(CCCC2)C1)c1csc(-c2cn[nH]c2)n1
InChIInChI=1S/C24H26N4O2S2.C23H27N5OS.C22H25N5OS.2C21H25N7O2S/c1-16(29)17-5-6-18(20(12-17)28-10-3-7-24(15-28)8-9-25-14-24)26-22(30)19-13-32-23(27-19)21-4-2-11-31-21;29-21(19-16-30-22(26-19)18-8-13-24-27-18)25-17-6-2-3-7-20(17)28-14-11-23(12-15-28)9-4-1-5-10-23;28-20(18-14-29-21(26-18)16-12-23-24-13-16)25-17-6-1-2-7-19(17)27-11-5-10-22(15-27)8-3-4-9-22;1-13-4-3-5-15(17(13)28-8-6-21(23-2,7-9-28)20(22)30)26-18(29)16-12-31-19(27-16)14-10-24-25-11-14;1-27(2)21(20(22)30)7-9-28(10-8-21)17-6-4-3-5-15(17)25-18(29)16-13-31-19(26-16)14-11-23-24-12-14/h2,4-6,11-13,25H,3,7-10,14-15H2,1H3,(H,26,30);2-3,6-8,13,16H,1,4-5,9-12,14-15H2,(H,24,27)(H,25,29);1-2,6-7,12-14H,3-5,8-11,15H2,(H,23,24)(H,25,28);3-5,10-12,23H,6-9H2,1-2H3,(H2,22,30)(H,24,25)(H,26,29);3-6,11-13H,7-10H2,1-2H3,(H2,22,30)(H,23,24)(H,25,29)
InChIKeyIUXNUZLQYIRFTR-UHFFFAOYSA-N
MW2174.83 g/mol
LogP19.50
Rot. Bonds25

About N-[4-acetyl-2-(2,7-diazaspiro[4.5]decan-7-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;N-[2-(7-azaspiro[4.5]decan-7-yl)phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-(3-azaspiro[5.5]undecan-3-yl)phenyl]-2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide;N-[2-[4-carbamoyl-4-(dimethylamino)piperidin-1-yl]phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]-3-methylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide

N-[4-acetyl-2-(2,7-diazaspiro[4.5]decan-7-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;N-[2-(7-azaspiro[4.5]decan-7-yl)phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-(3-azaspiro[5.5]undecan-3-yl)phenyl]-2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide;N-[2-[4-carbamoyl-4-(dimethylamino)piperidin-1-yl]phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]-3-methylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 158813001) has the molecular formula C111H128N28O8S6 and a molecular weight of 2174.83 g/mol. Its IUPAC name is N-[4-acetyl-2-(2,7-diazaspiro[4.5]decan-7-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;N-[2-(7-azaspiro[4.5]decan-7-yl)phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-(3-azaspiro[5.5]undecan-3-yl)phenyl]-2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide;N-[2-[4-carbamoyl-4-(dimethylamino)piperidin-1-yl]phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]-3-methylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-acetyl-2-(2,7-diazaspiro[4.5]decan-7-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;N-[2-(7-azaspiro[4.5]decan-7-yl)phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-(3-azaspiro[5.5]undecan-3-yl)phenyl]-2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide;N-[2-[4-carbamoyl-4-(dimethylamino)piperidin-1-yl]phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]-3-methylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID158813001
Molecular FormulaC111H128N28O8S6
Molecular Weight2174.83 g/mol
Exact Mass2172.88
IUPAC NameN-[4-acetyl-2-(2,7-diazaspiro[4.5]decan-7-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;N-[2-(7-azaspiro[4.5]decan-7-yl)phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-(3-azaspiro[5.5]undecan-3-yl)phenyl]-2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide;N-[2-[4-carbamoyl-4-(dimethylamino)piperidin-1-yl]phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]-3-methylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2csc(-c3cccs3)n2)c(N2CCCC3(CCNC3)C2)c1.CN(C)C1(C(N)=O)CCN(c2ccccc2NC(=O)c2csc(-c3cn[nH]c3)n2)CC1.CNC1(C(N)=O)CCN(c2c(C)cccc2NC(=O)c2csc(-c3cn[nH]c3)n2)CC1.O=C(Nc1ccccc1N1CCC2(CCCCC2)CC1)c1csc(-c2ccn[nH]2)n1.O=C(Nc1ccccc1N1CCCC2(CCCC2)C1)c1csc(-c2cn[nH]c2)n1
InChIInChI=1S/C24H26N4O2S2.C23H27N5OS.C22H25N5OS.2C21H25N7O2S/c1-16(29)17-5-6-18(20(12-17)28-10-3-7-24(15-28)8-9-25-14-24)26-22(30)19-13-32-23(27-19)21-4-2-11-31-21;29-21(19-16-30-22(26-19)18-8-13-24-27-18)25-17-6-2-3-7-20(17)28-14-11-23(12-15-28)9-4-1-5-10-23;28-20(18-14-29-21(26-18)16-12-23-24-13-16)25-17-6-1-2-7-19(17)27-11-5-10-22(15-27)8-3-4-9-22;1-13-4-3-5-15(17(13)28-8-6-21(23-2,7-9-28)20(22)30)26-18(29)16-12-31-19(27-16)14-10-24-25-11-14;1-27(2)21(20(22)30)7-9-28(10-8-21)17-6-4-3-5-15(17)25-18(29)16-13-31-19(26-16)14-11-23-24-12-14/h2,4-6,11-13,25H,3,7-10,14-15H2,1H3,(H,26,30);2-3,6-8,13,16H,1,4-5,9-12,14-15H2,(H,24,27)(H,25,29);1-2,6-7,12-14H,3-5,8-11,15H2,(H,23,24)(H,25,28);3-5,10-12,23H,6-9H2,1-2H3,(H2,22,30)(H,24,25)(H,26,29);3-6,11-13H,7-10H2,1-2H3,(H2,22,30)(H,23,24)(H,25,29)
InChIKeyIUXNUZLQYIRFTR-UHFFFAOYSA-N
XLogP19.50
TPSA471.42 Ų
H-Bond Donors13
H-Bond Acceptors31
Rotatable Bonds25
Heavy Atoms153
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002174.83
LogP ≤ 519.50
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1031

Analyze N-[4-acetyl-2-(2,7-diazaspiro[4.5]decan-7-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;N-[2-(7-azaspiro[4.5]decan-7-yl)phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-(3-azaspiro[5.5]undecan-3-yl)phenyl]-2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide;N-[2-[4-carbamoyl-4-(dimethylamino)piperidin-1-yl]phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]-3-methylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-acetyl-2-(2,7-diazaspiro[4.5]decan-7-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;N-[2-(7-azaspiro[4.5]decan-7-yl)phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-(3-azaspiro[5.5]undecan-3-yl)phenyl]-2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide;N-[2-[4-carbamoyl-4-(dimethylamino)piperidin-1-yl]phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]-3-methylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[4-acetyl-2-(2,7-diazaspiro[4.5]decan-7-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;N-[2-(7-azaspiro[4.5]decan-7-yl)phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-(3-azaspiro[5.5]undecan-3-yl)phenyl]-2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide;N-[2-[4-carbamoyl-4-(dimethylamino)piperidin-1-yl]phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]-3-methylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide (CID 158813001) is N-[4-acetyl-2-(2,7-diazaspiro[4.5]decan-7-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;N-[2-(7-azaspiro[4.5]decan-7-yl)phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-(3-azaspiro[5.5]undecan-3-yl)phenyl]-2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide;N-[2-[4-carbamoyl-4-(dimethylamino)piperidin-1-yl]phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]-3-methylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[4-acetyl-2-(2,7-diazaspiro[4.5]decan-7-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;N-[2-(7-azaspiro[4.5]decan-7-yl)phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-(3-azaspiro[5.5]undecan-3-yl)phenyl]-2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide;N-[2-[4-carbamoyl-4-(dimethylamino)piperidin-1-yl]phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]-3-methylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[4-acetyl-2-(2,7-diazaspiro[4.5]decan-7-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;N-[2-(7-azaspiro[4.5]decan-7-yl)phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-(3-azaspiro[5.5]undecan-3-yl)phenyl]-2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide;N-[2-[4-carbamoyl-4-(dimethylamino)piperidin-1-yl]phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]-3-methylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide is CC(=O)c1ccc(NC(=O)c2csc(-c3cccs3)n2)c(N2CCCC3(CCNC3)C2)c1.CN(C)C1(C(N)=O)CCN(c2ccccc2NC(=O)c2csc(-c3cn[nH]c3)n2)CC1.CNC1(C(N)=O)CCN(c2c(C)cccc2NC(=O)c2csc(-c3cn[nH]c3)n2)CC1.O=C(Nc1ccccc1N1CCC2(CCCCC2)CC1)c1csc(-c2ccn[nH]2)n1.O=C(Nc1ccccc1N1CCCC2(CCCC2)C1)c1csc(-c2cn[nH]c2)n1.
What is the InChIKey of N-[4-acetyl-2-(2,7-diazaspiro[4.5]decan-7-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;N-[2-(7-azaspiro[4.5]decan-7-yl)phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-(3-azaspiro[5.5]undecan-3-yl)phenyl]-2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide;N-[2-[4-carbamoyl-4-(dimethylamino)piperidin-1-yl]phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]-3-methylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is IUXNUZLQYIRFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2S2.C23H27N5OS.C22H25N5OS.2C21H25N7O2S/c1-16(29)17-5-6-18(20(12-17)28-10-3-7-24(15-28)8-9-25-14-24)26-22(30)19-13-32-23(27-19)21-4-2-11-31-21;29-21(19-16-30-22(26-19)18-8-13-24-27-18)25-17-6-2-3-7-20(17)28-14-11-23(12-15-28)9-4-1-5-10-23;28-20(18-14-29-21(26-18)16-12-23-24-13-16)25-17-6-1-2-7-19(17)27-11-5-10-22(15-27)8-3-4-9-22;1-13-4-3-5-15(17(13)28-8-6-21(23-2,7-9-28)20(22)30)26-18(29)16-12-31-19(27-16)14-10-24-25-11-14;1-27(2)21(20(22)30)7-9-28(10-8-21)17-6-4-3-5-15(17)25-18(29)16-13-31-19(26-16)14-11-23-24-12-14/h2,4-6,11-13,25H,3,7-10,14-15H2,1H3,(H,26,30);2-3,6-8,13,16H,1,4-5,9-12,14-15H2,(H,24,27)(H,25,29);1-2,6-7,12-14H,3-5,8-11,15H2,(H,23,24)(H,25,28);3-5,10-12,23H,6-9H2,1-2H3,(H2,22,30)(H,24,25)(H,26,29);3-6,11-13H,7-10H2,1-2H3,(H2,22,30)(H,23,24)(H,25,29).
What are the key properties of N-[4-acetyl-2-(2,7-diazaspiro[4.5]decan-7-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;N-[2-(7-azaspiro[4.5]decan-7-yl)phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-(3-azaspiro[5.5]undecan-3-yl)phenyl]-2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide;N-[2-[4-carbamoyl-4-(dimethylamino)piperidin-1-yl]phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]-3-methylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
N-[4-acetyl-2-(2,7-diazaspiro[4.5]decan-7-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;N-[2-(7-azaspiro[4.5]decan-7-yl)phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-(3-azaspiro[5.5]undecan-3-yl)phenyl]-2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide;N-[2-[4-carbamoyl-4-(dimethylamino)piperidin-1-yl]phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]-3-methylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 2174.83 g/mol, XLogP of 19.50, 25 rotatable bonds, 13 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-acetyl-2-(2,7-diazaspiro[4.5]decan-7-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;N-[2-(7-azaspiro[4.5]decan-7-yl)phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-(3-azaspiro[5.5]undecan-3-yl)phenyl]-2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide;N-[2-[4-carbamoyl-4-(dimethylamino)piperidin-1-yl]phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]-3-methylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 158813001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).