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

C16H19N3O3S — CID 82032622

IUPAC2-[(4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carbonyl)amino]hexanoic acid
SMILESCCCCC(NC(=O)c1sc(-c2ccncc2)nc1C)C(=O)O
InChIInChI=1S/C16H19N3O3S/c1-3-4-5-12(16(21)22)19-14(20)13-10(2)18-15(23-13)11-6-8-17-9-7-11/h6-9,12H,3-5H2,1-2H3,(H,19,20)(H,21,22)
InChIKeySGNMRMHSTTVPQT-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.89
Rot. Bonds7

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

2-[(4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carbonyl)amino]hexanoic acid (PubChem CID 82032622) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is 2-[(4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name2-[(4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carbonyl)amino]hexanoic acid
PubChem CID82032622
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name2-[(4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carbonyl)amino]hexanoic acid
SMILESCCCCC(NC(=O)c1sc(-c2ccncc2)nc1C)C(=O)O
InChIInChI=1S/C16H19N3O3S/c1-3-4-5-12(16(21)22)19-14(20)13-10(2)18-15(23-13)11-6-8-17-9-7-11/h6-9,12H,3-5H2,1-2H3,(H,19,20)(H,21,22)
InChIKeySGNMRMHSTTVPQT-UHFFFAOYSA-N
XLogP2.89
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carbonyl)amino]hexanoic acid with MolForge

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Related Compounds

(2S)-2-[(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)amino]pentanoic acid
CID 107564441
(2S)-2-[(4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbonyl)amino]pentanoic acid
CID 107563777
(2R)-4-methyl-2-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid
CID 119363922
4-methyl-2-phenyl-N-[(1S)-1-pyridin-4-ylethyl]-1,3-thiazole-5-carboxamide
CID 39966458
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-N-[(2S)-pentan-2-yl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 27261975
2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid
CID 43630699
3-[(4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 82032619
N-butyl-N-ethyl-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
CID 39080817
N-[3-(diethylamino)propyl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
CID 39084301
(2S)-2-[(3-methylthiophene-2-carbonyl)amino]hexanoic acid
CID 93031782

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carbonyl)amino]hexanoic acid?
The IUPAC name of 2-[(4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carbonyl)amino]hexanoic acid (CID 82032622) is 2-[(4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carbonyl)amino]hexanoic acid.
What is the SMILES notation for 2-[(4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carbonyl)amino]hexanoic acid?
The canonical SMILES for 2-[(4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carbonyl)amino]hexanoic acid is CCCCC(NC(=O)c1sc(-c2ccncc2)nc1C)C(=O)O.
What is the InChIKey of 2-[(4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carbonyl)amino]hexanoic acid?
The InChIKey is SGNMRMHSTTVPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-3-4-5-12(16(21)22)19-14(20)13-10(2)18-15(23-13)11-6-8-17-9-7-11/h6-9,12H,3-5H2,1-2H3,(H,19,20)(H,21,22).
What are the key properties of 2-[(4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carbonyl)amino]hexanoic acid?
2-[(4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carbonyl)amino]hexanoic acid has a molecular weight of 333.41 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 82032622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).