N-[(5S,7S)-2-(3,5-difluorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]-2-methyl-1,3-thiazole-4-carboxamide

C20H21F2N3O2S — CID 67108524

IUPACN-[(5S,7S)-2-(3,5-difluorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)N[C@H]2CCC[C@]3(CCN(c4cc(F)cc(F)c4)C3=O)C2)cs1
InChIInChI=1S/C20H21F2N3O2S/c1-12-23-17(11-28-12)18(26)24-15-3-2-4-20(10-15)5-6-25(19(20)27)16-8-13(21)7-14(22)9-16/h7-9,11,15H,2-6,10H2,1H3,(H,24,26)/t15-,20-/m0/s1
InChIKeyMYFVLNWCMVNHRG-YWZLYKJASA-N
MW405.47 g/mol
LogP3.83
Rot. Bonds3

About N-[(5S,7S)-2-(3,5-difluorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]-2-methyl-1,3-thiazole-4-carboxamide

N-[(5S,7S)-2-(3,5-difluorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]-2-methyl-1,3-thiazole-4-carboxamide (PubChem CID 67108524) has the molecular formula C20H21F2N3O2S and a molecular weight of 405.47 g/mol. Its IUPAC name is N-[(5S,7S)-2-(3,5-difluorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]-2-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(5S,7S)-2-(3,5-difluorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]-2-methyl-1,3-thiazole-4-carboxamide
PubChem CID67108524
Molecular FormulaC20H21F2N3O2S
Molecular Weight405.47 g/mol
Exact Mass405.13
IUPAC NameN-[(5S,7S)-2-(3,5-difluorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)N[C@H]2CCC[C@]3(CCN(c4cc(F)cc(F)c4)C3=O)C2)cs1
InChIInChI=1S/C20H21F2N3O2S/c1-12-23-17(11-28-12)18(26)24-15-3-2-4-20(10-15)5-6-25(19(20)27)16-8-13(21)7-14(22)9-16/h7-9,11,15H,2-6,10H2,1H3,(H,24,26)/t15-,20-/m0/s1
InChIKeyMYFVLNWCMVNHRG-YWZLYKJASA-N
XLogP3.83
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.47
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5S,7R)-2-(3,5-difluorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]-6-methylpyrazine-2-carboxamide
CID 52912123
N-[(5R,7S)-2-(3-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyridine-2-carboxamide
CID 58237396
N-[2-(3,5-difluorophenyl)-8-fluoro-1-oxo-2-azaspiro[4.5]decan-7-yl]-2-methylpyrimidine-4-carboxamide
CID 67108498
6-methyl-N-[(5S,7R)-2-(2-methyl-4-pyridinyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyridine-2-carboxamide
CID 52912120
N-[2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]-6-methylpyridine-2-carboxamide
CID 75951009
N-[(5S,7S)-2-(3-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyridine-4-carboxamide
CID 67108857
6-methyl-N-[(5S,7R)-2-(5-methyl-3-pyridinyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyridine-2-carboxamide
CID 52911401
N-[(5S,7R)-2-(2-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]-6-methylpyridine-2-carboxamide
CID 52912119
N-[2-(6-methyl-2-pyridinyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyridine-2-carboxamide
CID 75951010
N-[(5S,7S)-2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyrazine-2-carboxamide
CID 52911751
6-methyl-N-[(5S,7R)-2-(5-methyl-2-pyridinyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyridine-2-carboxamide
CID 52912074
2-(3,5-difluorophenyl)-8-hydroxy-7-[2-(2-methylpyrimidin-4-yl)-2-oxoethyl]-2-azaspiro[4.5]decan-1-one
CID 58237210

Frequently Asked Questions

What is the IUPAC name of N-[(5S,7S)-2-(3,5-difluorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]-2-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(5S,7S)-2-(3,5-difluorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]-2-methyl-1,3-thiazole-4-carboxamide (CID 67108524) is N-[(5S,7S)-2-(3,5-difluorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]-2-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(5S,7S)-2-(3,5-difluorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]-2-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(5S,7S)-2-(3,5-difluorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]-2-methyl-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)N[C@H]2CCC[C@]3(CCN(c4cc(F)cc(F)c4)C3=O)C2)cs1.
What is the InChIKey of N-[(5S,7S)-2-(3,5-difluorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]-2-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is MYFVLNWCMVNHRG-YWZLYKJASA-N. The full InChI is InChI=1S/C20H21F2N3O2S/c1-12-23-17(11-28-12)18(26)24-15-3-2-4-20(10-15)5-6-25(19(20)27)16-8-13(21)7-14(22)9-16/h7-9,11,15H,2-6,10H2,1H3,(H,24,26)/t15-,20-/m0/s1.
What are the key properties of N-[(5S,7S)-2-(3,5-difluorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]-2-methyl-1,3-thiazole-4-carboxamide?
N-[(5S,7S)-2-(3,5-difluorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]-2-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 405.47 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5S,7S)-2-(3,5-difluorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]-2-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 67108524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).