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

C14H16N2O3S2 — CID 107564441

IUPAC(2S)-2-[(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)amino]pentanoic acid
SMILESCCC[C@H](NC(=O)c1sc(-c2ccsc2)nc1C)C(=O)O
InChIInChI=1S/C14H16N2O3S2/c1-3-4-10(14(18)19)16-12(17)11-8(2)15-13(21-11)9-5-6-20-7-9/h5-7,10H,3-4H2,1-2H3,(H,16,17)(H,18,19)/t10-/m0/s1
InChIKeyQXHDGFMUSIJLGT-JTQLQIEISA-N
MW324.43 g/mol
LogP3.16
Rot. Bonds6

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

(2S)-2-[(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)amino]pentanoic acid (PubChem CID 107564441) has the molecular formula C14H16N2O3S2 and a molecular weight of 324.43 g/mol. Its IUPAC name is (2S)-2-[(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-2-[(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)amino]pentanoic acid
PubChem CID107564441
Molecular FormulaC14H16N2O3S2
Molecular Weight324.43 g/mol
Exact Mass324.06
IUPAC Name(2S)-2-[(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)amino]pentanoic acid
SMILESCCC[C@H](NC(=O)c1sc(-c2ccsc2)nc1C)C(=O)O
InChIInChI=1S/C14H16N2O3S2/c1-3-4-10(14(18)19)16-12(17)11-8(2)15-13(21-11)9-5-6-20-7-9/h5-7,10H,3-4H2,1-2H3,(H,16,17)(H,18,19)/t10-/m0/s1
InChIKeyQXHDGFMUSIJLGT-JTQLQIEISA-N
XLogP3.16
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-[(4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carbonyl)amino]hexanoic acid
CID 82032622
(2S)-2-[(4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbonyl)amino]pentanoic acid
CID 107563777
N-[(2R)-1-hydroxybutan-2-yl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 103920340
2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid
CID 43630699
4-methyl-N-(2-methylbutan-2-yl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 47119834
4-methyl-N-phenyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 8871070
4-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 26648334
(2R)-4-methyl-2-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid
CID 119363922
N-(2-hydroxy-3-methylbutyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 115744537
(2S)-2-(thiophene-3-carbonylamino)pentanoic acid
CID 107564268
N-cyano-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 79194223
N-(2-methoxyethyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 17489055

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)amino]pentanoic acid?
The IUPAC name of (2S)-2-[(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)amino]pentanoic acid (CID 107564441) is (2S)-2-[(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)amino]pentanoic acid.
What is the SMILES notation for (2S)-2-[(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)amino]pentanoic acid?
The canonical SMILES for (2S)-2-[(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)amino]pentanoic acid is CCC[C@H](NC(=O)c1sc(-c2ccsc2)nc1C)C(=O)O.
What is the InChIKey of (2S)-2-[(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)amino]pentanoic acid?
The InChIKey is QXHDGFMUSIJLGT-JTQLQIEISA-N. The full InChI is InChI=1S/C14H16N2O3S2/c1-3-4-10(14(18)19)16-12(17)11-8(2)15-13(21-11)9-5-6-20-7-9/h5-7,10H,3-4H2,1-2H3,(H,16,17)(H,18,19)/t10-/m0/s1.
What are the key properties of (2S)-2-[(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)amino]pentanoic acid?
(2S)-2-[(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)amino]pentanoic acid has a molecular weight of 324.43 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 107564441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).