(2R)-4-methyl-2-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid

C17H20N2O3S — CID 119363922

IUPAC(2R)-4-methyl-2-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid
SMILESCc1nc(-c2ccccc2)sc1C(=O)N[C@H](CC(C)C)C(=O)O
InChIInChI=1S/C17H20N2O3S/c1-10(2)9-13(17(21)22)19-15(20)14-11(3)18-16(23-14)12-7-5-4-6-8-12/h4-8,10,13H,9H2,1-3H3,(H,19,20)(H,21,22)/t13-/m1/s1
InChIKeyAYFARMGBWRTEHK-CYBMUJFWSA-N
MW332.43 g/mol
LogP3.35
Rot. Bonds6

About (2R)-4-methyl-2-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid

(2R)-4-methyl-2-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid (PubChem CID 119363922) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is (2R)-4-methyl-2-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-4-methyl-2-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid
PubChem CID119363922
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Name(2R)-4-methyl-2-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid
SMILESCc1nc(-c2ccccc2)sc1C(=O)N[C@H](CC(C)C)C(=O)O
InChIInChI=1S/C17H20N2O3S/c1-10(2)9-13(17(21)22)19-15(20)14-11(3)18-16(23-14)12-7-5-4-6-8-12/h4-8,10,13H,9H2,1-3H3,(H,19,20)(H,21,22)/t13-/m1/s1
InChIKeyAYFARMGBWRTEHK-CYBMUJFWSA-N
XLogP3.35
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(2-benzyl-4-methyl-1,3-thiazole-5-carbonyl)amino]-4-methylpentanoic acid
CID 119361483
4-methyl-2-[(4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carbonyl)amino]pentanoic acid
CID 82032654
2-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 56919999
4-methyl-2-phenyl-N-[(1R)-1-phenylethyl]-1,3-thiazole-5-carboxamide
CID 9123977
4-methyl-2-phenyl-N-[(1S)-1-pyridin-4-ylethyl]-1,3-thiazole-5-carboxamide
CID 39966458
(2R)-4-methyl-2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid
CID 92928991
2-[(4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carbonyl)amino]hexanoic acid
CID 82032622
4-methyl-N-[3-(2-methylpropoxy)propyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 18276457
2-[[2-(2,6-dichlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]-3-phenylpropanoic acid
CID 75269827
N-[2-(1-hydroxyethyl)phenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 110885308
(2R)-2-[[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]propanoic acid
CID 51663849
(2S)-2-[(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)amino]pentanoic acid
CID 107564441

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-2-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid?
The IUPAC name of (2R)-4-methyl-2-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid (CID 119363922) is (2R)-4-methyl-2-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid.
What is the SMILES notation for (2R)-4-methyl-2-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid?
The canonical SMILES for (2R)-4-methyl-2-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid is Cc1nc(-c2ccccc2)sc1C(=O)N[C@H](CC(C)C)C(=O)O.
What is the InChIKey of (2R)-4-methyl-2-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid?
The InChIKey is AYFARMGBWRTEHK-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-10(2)9-13(17(21)22)19-15(20)14-11(3)18-16(23-14)12-7-5-4-6-8-12/h4-8,10,13H,9H2,1-3H3,(H,19,20)(H,21,22)/t13-/m1/s1.
What are the key properties of (2R)-4-methyl-2-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid?
(2R)-4-methyl-2-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid has a molecular weight of 332.43 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-2-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 119363922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).