2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]-3-(2-oxo-1H-quinolin-4-yl)propanoic acid

C17H15N3O4S — CID 67820126

IUPAC2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]-3-(2-oxo-1H-quinolin-4-yl)propanoic acid
SMILESCc1ncsc1C(=O)NC(Cc1cc(=O)[nH]c2ccccc12)C(=O)O
InChIInChI=1S/C17H15N3O4S/c1-9-15(25-8-18-9)16(22)20-13(17(23)24)6-10-7-14(21)19-12-5-3-2-4-11(10)12/h2-5,7-8,13H,6H2,1H3,(H,19,21)(H,20,22)(H,23,24)
InChIKeyNMQPDQONSNDAHW-UHFFFAOYSA-N
MW357.39 g/mol
LogP1.72
Rot. Bonds5

About 2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]-3-(2-oxo-1H-quinolin-4-yl)propanoic acid

2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]-3-(2-oxo-1H-quinolin-4-yl)propanoic acid (PubChem CID 67820126) has the molecular formula C17H15N3O4S and a molecular weight of 357.39 g/mol. Its IUPAC name is 2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]-3-(2-oxo-1H-quinolin-4-yl)propanoic acid.

Molecular Properties

Compound Name2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]-3-(2-oxo-1H-quinolin-4-yl)propanoic acid
PubChem CID67820126
Molecular FormulaC17H15N3O4S
Molecular Weight357.39 g/mol
Exact Mass357.08
IUPAC Name2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]-3-(2-oxo-1H-quinolin-4-yl)propanoic acid
SMILESCc1ncsc1C(=O)NC(Cc1cc(=O)[nH]c2ccccc12)C(=O)O
InChIInChI=1S/C17H15N3O4S/c1-9-15(25-8-18-9)16(22)20-13(17(23)24)6-10-7-14(21)19-12-5-3-2-4-11(10)12/h2-5,7-8,13H,6H2,1H3,(H,19,21)(H,20,22)(H,23,24)
InChIKeyNMQPDQONSNDAHW-UHFFFAOYSA-N
XLogP1.72
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]-3-(2-oxo-1H-quinolin-4-yl)propanoic acid with MolForge

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Related Compounds

2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]-3-phenylpropanoic acid
CID 18072824
2-[(3,4-dichlorobenzoyl)amino]-3-(2-oxo-1H-quinolin-4-yl)propanoic acid
CID 13342119
potassium;2-[(4-chlorobenzoyl)amino]-3-(2-oxo-1H-quinolin-4-yl)propanoic acid;hydride
CID 174621990
4-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-phenyl-1,3-thiazole-5-carboxamide
CID 42618037
magnesium;2-[(4-chlorobenzoyl)amino]-3-(2-oxo-1H-quinolin-4-yl)propanoic acid;hydride
CID 174143379
2-(4-methyl-1,3-thiazol-5-yl)ethyl 2-[(4-chlorobenzoyl)amino]-3-(2-oxo-1H-quinolin-4-yl)propanoate
CID 118035450
2-[(2,4-dichlorobenzoyl)amino]-3-(2-oxo-1H-quinolin-4-yl)propanoic acid
CID 13471558
(2S)-2-[[(2S)-2-[(4-chlorobenzoyl)amino]-3-(2-oxo-1H-quinolin-4-yl)propanoyl]amino]butanoic acid
CID 40899869
(2S)-2-[[(2R)-2-[(4-chlorobenzoyl)amino]-3-(2-oxo-1H-quinolin-4-yl)propanoyl]amino]butanedioic acid
CID 41111925
(2S)-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]heptanoic acid
CID 97337438
4-[[(2R)-2-[(4-chlorobenzoyl)amino]-3-(2-oxo-1H-quinolin-4-yl)propanoyl]amino]butanoic acid
CID 41129627
(2R)-2-[(6-ethylpyrimidine-4-carbonyl)amino]-3-(1H-indol-3-yl)propanoic acid
CID 167798275

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]-3-(2-oxo-1H-quinolin-4-yl)propanoic acid?
The IUPAC name of 2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]-3-(2-oxo-1H-quinolin-4-yl)propanoic acid (CID 67820126) is 2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]-3-(2-oxo-1H-quinolin-4-yl)propanoic acid.
What is the SMILES notation for 2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]-3-(2-oxo-1H-quinolin-4-yl)propanoic acid?
The canonical SMILES for 2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]-3-(2-oxo-1H-quinolin-4-yl)propanoic acid is Cc1ncsc1C(=O)NC(Cc1cc(=O)[nH]c2ccccc12)C(=O)O.
What is the InChIKey of 2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]-3-(2-oxo-1H-quinolin-4-yl)propanoic acid?
The InChIKey is NMQPDQONSNDAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4S/c1-9-15(25-8-18-9)16(22)20-13(17(23)24)6-10-7-14(21)19-12-5-3-2-4-11(10)12/h2-5,7-8,13H,6H2,1H3,(H,19,21)(H,20,22)(H,23,24).
What are the key properties of 2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]-3-(2-oxo-1H-quinolin-4-yl)propanoic acid?
2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]-3-(2-oxo-1H-quinolin-4-yl)propanoic acid has a molecular weight of 357.39 g/mol, XLogP of 1.72, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]-3-(2-oxo-1H-quinolin-4-yl)propanoic acid is sourced from PubChem (CID 67820126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).