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

C16H19N3O3S — CID 82032654

IUPAC4-methyl-2-[(4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carbonyl)amino]pentanoic acid
SMILESCc1nc(-c2cccnc2)sc1C(=O)NC(CC(C)C)C(=O)O
InChIInChI=1S/C16H19N3O3S/c1-9(2)7-12(16(21)22)19-14(20)13-10(3)18-15(23-13)11-5-4-6-17-8-11/h4-6,8-9,12H,7H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyYWDRQFRPAKEQOI-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.74
Rot. Bonds6

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

4-methyl-2-[(4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carbonyl)amino]pentanoic acid (PubChem CID 82032654) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is 4-methyl-2-[(4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[(4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carbonyl)amino]pentanoic acid
PubChem CID82032654
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name4-methyl-2-[(4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carbonyl)amino]pentanoic acid
SMILESCc1nc(-c2cccnc2)sc1C(=O)NC(CC(C)C)C(=O)O
InChIInChI=1S/C16H19N3O3S/c1-9(2)7-12(16(21)22)19-14(20)13-10(3)18-15(23-13)11-5-4-6-17-8-11/h4-6,8-9,12H,7H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyYWDRQFRPAKEQOI-UHFFFAOYSA-N
XLogP2.74
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-4-methyl-2-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid
CID 119363922
4-methyl-N-[(2S)-pentan-2-yl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 27261975
4-methyl-2-pyridin-3-yl-N-(1-pyrimidin-2-ylethyl)-1,3-thiazole-5-carboxamide
CID 58236230
(2S)-2-[(2-benzyl-4-methyl-1,3-thiazole-5-carbonyl)amino]-4-methylpentanoic acid
CID 119361483
N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 28560675
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 29092301
N-[1-(2,4-dimethylphenyl)ethyl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 19616981
4-methyl-N-[phenyl(pyridin-2-yl)methyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 171678664
4-methyl-N-(2-methyl-6-propan-2-ylphenyl)-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 30134184
2-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 56919999
2-[(4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carbonyl)amino]hexanoic acid
CID 82032622
(2S)-4-methyl-2-[[2-[[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]acetyl]amino]pentanoic acid
CID 120694359

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carbonyl)amino]pentanoic acid?
The IUPAC name of 4-methyl-2-[(4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carbonyl)amino]pentanoic acid (CID 82032654) is 4-methyl-2-[(4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[(4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carbonyl)amino]pentanoic acid?
The canonical SMILES for 4-methyl-2-[(4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carbonyl)amino]pentanoic acid is Cc1nc(-c2cccnc2)sc1C(=O)NC(CC(C)C)C(=O)O.
What is the InChIKey of 4-methyl-2-[(4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carbonyl)amino]pentanoic acid?
The InChIKey is YWDRQFRPAKEQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-9(2)7-12(16(21)22)19-14(20)13-10(3)18-15(23-13)11-5-4-6-17-8-11/h4-6,8-9,12H,7H2,1-3H3,(H,19,20)(H,21,22).
What are the key properties of 4-methyl-2-[(4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carbonyl)amino]pentanoic acid?
4-methyl-2-[(4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carbonyl)amino]pentanoic acid has a molecular weight of 333.41 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 82032654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).