(7S)-5-amino-7-(4-chlorophenyl)-6-cyano-N-(4-methoxyphenyl)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide

C22H17ClN4O3S — CID 2090135

IUPAC(7S)-5-amino-7-(4-chlorophenyl)-6-cyano-N-(4-methoxyphenyl)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide
SMILESCOc1ccc(NC(=O)C2=C3SCC(=O)N3C(N)=C(C#N)[C@@H]2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H17ClN4O3S/c1-30-15-8-6-14(7-9-15)26-21(29)19-18(12-2-4-13(23)5-3-12)16(10-24)20(25)27-17(28)11-31-22(19)27/h2-9,18H,11,25H2,1H3,(H,26,29)/t18-/m0/s1
InChIKeyCCLUAQXWUJZGNI-SFHVURJKSA-N
MW452.92 g/mol
LogP3.57
Rot. Bonds4

About (7S)-5-amino-7-(4-chlorophenyl)-6-cyano-N-(4-methoxyphenyl)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide

(7S)-5-amino-7-(4-chlorophenyl)-6-cyano-N-(4-methoxyphenyl)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide (PubChem CID 2090135) has the molecular formula C22H17ClN4O3S and a molecular weight of 452.92 g/mol. Its IUPAC name is (7S)-5-amino-7-(4-chlorophenyl)-6-cyano-N-(4-methoxyphenyl)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide.

Molecular Properties

Compound Name(7S)-5-amino-7-(4-chlorophenyl)-6-cyano-N-(4-methoxyphenyl)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide
PubChem CID2090135
Molecular FormulaC22H17ClN4O3S
Molecular Weight452.92 g/mol
Exact Mass452.07
IUPAC Name(7S)-5-amino-7-(4-chlorophenyl)-6-cyano-N-(4-methoxyphenyl)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide
SMILESCOc1ccc(NC(=O)C2=C3SCC(=O)N3C(N)=C(C#N)[C@@H]2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H17ClN4O3S/c1-30-15-8-6-14(7-9-15)26-21(29)19-18(12-2-4-13(23)5-3-12)16(10-24)20(25)27-17(28)11-31-22(19)27/h2-9,18H,11,25H2,1H3,(H,26,29)/t18-/m0/s1
InChIKeyCCLUAQXWUJZGNI-SFHVURJKSA-N
XLogP3.57
TPSA108.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.92
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (7S)-5-amino-7-(4-chlorophenyl)-6-cyano-N-(4-methoxyphenyl)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide with MolForge

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Related Compounds

5-amino-6-cyano-N-methyl-3-oxo-7-phenyl-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide
CID 15828810
methyl (2Z)-2-[5-amino-6-cyano-7-(4-methoxyphenyl)-8-[(4-methoxyphenyl)carbamoyl]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridin-2-ylidene]acetate
CID 6371287
methyl 2-[(2S,7R)-5-amino-6-cyano-8-[(3,4-dimethylphenyl)carbamoyl]-7-(4-methoxyphenyl)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridin-2-yl]acetate
CID 2720446
2-amino-4-(4-chlorophenyl)-1-(4-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 23903725
methyl 2-[(2S,7R)-5-amino-6-cyano-7-(4-methoxyphenyl)-8-[(2-methylphenyl)carbamoyl]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridin-2-yl]acetate
CID 2720773
6-amino-4-(4-chlorophenyl)-5-cyano-N-(4-methoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyridine-3-carboxamide
CID 3992824
methyl (2E)-5-amino-8-[(4-chlorophenyl)carbamoyl]-7-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6-carboxylate
CID 17273504
diethyl 6-amino-5-cyano-1,4-bis(4-methoxyphenyl)-4H-pyridine-2,3-dicarboxylate
CID 137332333
methane;methyl (2Z)-2-[5-amino-6-cyano-7-(3-methoxyphenyl)-8-[(4-methoxyphenyl)carbamoyl]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridin-2-ylidene]acetate
CID 53277755
N-(4-chlorophenyl)-2-[[(4R)-5-cyano-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide
CID 1142216
ethyl (2S,7S)-5-amino-6-cyano-2-(2-methoxy-2-oxoethyl)-7-(4-methoxyphenyl)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate
CID 2720439
methyl (3R,4S)-6-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-5-cyano-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate
CID 988706

Frequently Asked Questions

What is the IUPAC name of (7S)-5-amino-7-(4-chlorophenyl)-6-cyano-N-(4-methoxyphenyl)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide?
The IUPAC name of (7S)-5-amino-7-(4-chlorophenyl)-6-cyano-N-(4-methoxyphenyl)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide (CID 2090135) is (7S)-5-amino-7-(4-chlorophenyl)-6-cyano-N-(4-methoxyphenyl)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide.
What is the SMILES notation for (7S)-5-amino-7-(4-chlorophenyl)-6-cyano-N-(4-methoxyphenyl)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide?
The canonical SMILES for (7S)-5-amino-7-(4-chlorophenyl)-6-cyano-N-(4-methoxyphenyl)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide is COc1ccc(NC(=O)C2=C3SCC(=O)N3C(N)=C(C#N)[C@@H]2c2ccc(Cl)cc2)cc1.
What is the InChIKey of (7S)-5-amino-7-(4-chlorophenyl)-6-cyano-N-(4-methoxyphenyl)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide?
The InChIKey is CCLUAQXWUJZGNI-SFHVURJKSA-N. The full InChI is InChI=1S/C22H17ClN4O3S/c1-30-15-8-6-14(7-9-15)26-21(29)19-18(12-2-4-13(23)5-3-12)16(10-24)20(25)27-17(28)11-31-22(19)27/h2-9,18H,11,25H2,1H3,(H,26,29)/t18-/m0/s1.
What are the key properties of (7S)-5-amino-7-(4-chlorophenyl)-6-cyano-N-(4-methoxyphenyl)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide?
(7S)-5-amino-7-(4-chlorophenyl)-6-cyano-N-(4-methoxyphenyl)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide has a molecular weight of 452.92 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-5-amino-7-(4-chlorophenyl)-6-cyano-N-(4-methoxyphenyl)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide is sourced from PubChem (CID 2090135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).