(2S)-3-phenyl-2-[(2-pyridin-3-yl-1,3-thiazole-5-carbonyl)amino]propanoic acid

C18H15N3O3S — CID 167982530

IUPAC(2S)-3-phenyl-2-[(2-pyridin-3-yl-1,3-thiazole-5-carbonyl)amino]propanoic acid
SMILESO=C(N[C@@H](Cc1ccccc1)C(=O)O)c1cnc(-c2cccnc2)s1
InChIInChI=1S/C18H15N3O3S/c22-16(15-11-20-17(25-15)13-7-4-8-19-10-13)21-14(18(23)24)9-12-5-2-1-3-6-12/h1-8,10-11,14H,9H2,(H,21,22)(H,23,24)/t14-/m0/s1
InChIKeyHPAUWRQARMMXSS-AWEZNQCLSA-N
MW353.40 g/mol
LogP2.63
Rot. Bonds6

About (2S)-3-phenyl-2-[(2-pyridin-3-yl-1,3-thiazole-5-carbonyl)amino]propanoic acid

(2S)-3-phenyl-2-[(2-pyridin-3-yl-1,3-thiazole-5-carbonyl)amino]propanoic acid (PubChem CID 167982530) has the molecular formula C18H15N3O3S and a molecular weight of 353.40 g/mol. Its IUPAC name is (2S)-3-phenyl-2-[(2-pyridin-3-yl-1,3-thiazole-5-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-3-phenyl-2-[(2-pyridin-3-yl-1,3-thiazole-5-carbonyl)amino]propanoic acid
PubChem CID167982530
Molecular FormulaC18H15N3O3S
Molecular Weight353.40 g/mol
Exact Mass353.08
IUPAC Name(2S)-3-phenyl-2-[(2-pyridin-3-yl-1,3-thiazole-5-carbonyl)amino]propanoic acid
SMILESO=C(N[C@@H](Cc1ccccc1)C(=O)O)c1cnc(-c2cccnc2)s1
InChIInChI=1S/C18H15N3O3S/c22-16(15-11-20-17(25-15)13-7-4-8-19-10-13)21-14(18(23)24)9-12-5-2-1-3-6-12/h1-8,10-11,14H,9H2,(H,21,22)(H,23,24)/t14-/m0/s1
InChIKeyHPAUWRQARMMXSS-AWEZNQCLSA-N
XLogP2.63
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-3-phenyl-2-[(2-pyridin-3-ylacetyl)amino]propanoic acid
CID 103804335
2-pyridin-3-yl-N-(pyrimidin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 58236218
N-(dicyclopropylmethyl)-2-phenyl-1,3-thiazole-5-carboxamide
CID 86991209
(2S)-2-[(3-aminopyridine-2-carbonyl)amino]-3-phenylpropanoic acid
CID 104741915
3-[2-[(2-pyridin-3-yl-1,3-thiazole-5-carbonyl)amino]ethyldisulfanyl]propanoic acid
CID 167987437
2-benzamido-3-pyridin-4-ylpropanoic acid
CID 19602413
2-[(2-methylbenzoyl)amino]-3-pyridin-3-ylpropanoic acid
CID 166310358
(2S)-2-[(5-chlorothiophene-2-carbonyl)amino]-3-phenylpropanoic acid
CID 41250495
3-phenyl-2-(pyridazine-4-carbonylamino)propanoic acid
CID 115909603
(2S)-3-phenyl-2-(pyridin-3-ylamino)propanoic acid;dihydrochloride
CID 141048608
N-(3-aminobutyl)-2-phenyl-1,3-thiazole-5-carboxamide
CID 119499312
2-[(4,5-dimethylthiophene-2-carbonyl)amino]-3-phenylpropanoic acid
CID 43170130

Frequently Asked Questions

What is the IUPAC name of (2S)-3-phenyl-2-[(2-pyridin-3-yl-1,3-thiazole-5-carbonyl)amino]propanoic acid?
The IUPAC name of (2S)-3-phenyl-2-[(2-pyridin-3-yl-1,3-thiazole-5-carbonyl)amino]propanoic acid (CID 167982530) is (2S)-3-phenyl-2-[(2-pyridin-3-yl-1,3-thiazole-5-carbonyl)amino]propanoic acid.
What is the SMILES notation for (2S)-3-phenyl-2-[(2-pyridin-3-yl-1,3-thiazole-5-carbonyl)amino]propanoic acid?
The canonical SMILES for (2S)-3-phenyl-2-[(2-pyridin-3-yl-1,3-thiazole-5-carbonyl)amino]propanoic acid is O=C(N[C@@H](Cc1ccccc1)C(=O)O)c1cnc(-c2cccnc2)s1.
What is the InChIKey of (2S)-3-phenyl-2-[(2-pyridin-3-yl-1,3-thiazole-5-carbonyl)amino]propanoic acid?
The InChIKey is HPAUWRQARMMXSS-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H15N3O3S/c22-16(15-11-20-17(25-15)13-7-4-8-19-10-13)21-14(18(23)24)9-12-5-2-1-3-6-12/h1-8,10-11,14H,9H2,(H,21,22)(H,23,24)/t14-/m0/s1.
What are the key properties of (2S)-3-phenyl-2-[(2-pyridin-3-yl-1,3-thiazole-5-carbonyl)amino]propanoic acid?
(2S)-3-phenyl-2-[(2-pyridin-3-yl-1,3-thiazole-5-carbonyl)amino]propanoic acid has a molecular weight of 353.40 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-phenyl-2-[(2-pyridin-3-yl-1,3-thiazole-5-carbonyl)amino]propanoic acid is sourced from PubChem (CID 167982530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).