2-[(1S)-1-[(5-methylthiophene-2-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxylic acid

C12H12N2O3S2 — CID 164637639

IUPAC2-[(1S)-1-[(5-methylthiophene-2-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxylic acid
SMILESCc1ccc(C(=O)N[C@@H](C)c2ncc(C(=O)O)s2)s1
InChIInChI=1S/C12H12N2O3S2/c1-6-3-4-8(18-6)10(15)14-7(2)11-13-5-9(19-11)12(16)17/h3-5,7H,1-2H3,(H,14,15)(H,16,17)/t7-/m0/s1
InChIKeyJOECAJQHQITOJA-ZETCQYMHSA-N
MW296.37 g/mol
LogP2.70
Rot. Bonds4

About 2-[(1S)-1-[(5-methylthiophene-2-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxylic acid

2-[(1S)-1-[(5-methylthiophene-2-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxylic acid (PubChem CID 164637639) has the molecular formula C12H12N2O3S2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-[(1S)-1-[(5-methylthiophene-2-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[(1S)-1-[(5-methylthiophene-2-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxylic acid
PubChem CID164637639
Molecular FormulaC12H12N2O3S2
Molecular Weight296.37 g/mol
Exact Mass296.03
IUPAC Name2-[(1S)-1-[(5-methylthiophene-2-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxylic acid
SMILESCc1ccc(C(=O)N[C@@H](C)c2ncc(C(=O)O)s2)s1
InChIInChI=1S/C12H12N2O3S2/c1-6-3-4-8(18-6)10(15)14-7(2)11-13-5-9(19-11)12(16)17/h3-5,7H,1-2H3,(H,14,15)(H,16,17)/t7-/m0/s1
InChIKeyJOECAJQHQITOJA-ZETCQYMHSA-N
XLogP2.70
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxylic acid
CID 136554285
5-methyl-N-[(1R)-1-pyridin-4-ylethyl]thiophene-2-carboxamide
CID 34759113
2-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-5-carboxylic acid
CID 124567722
N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methylthiophene-2-carboxamide
CID 94033085
N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]-5-methylthiophene-2-carboxamide
CID 39272941
N-[(2S)-1-aminopropan-2-yl]-5-methylthiophene-2-carboxamide
CID 131159537
N-[1-(4-ethylphenyl)ethyl]-5-methylthiophene-2-carboxamide
CID 17326902
5-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]thiophene-2-carboxylic acid
CID 106283538
6-[1-(5-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]pyrimidine-4-carboxylic acid
CID 139564980
5-bromo-4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide
CID 112697622
2-[(1R)-1-(1-benzothiophene-2-carbonylamino)ethyl]-N-hydroxy-1,3-thiazole-5-carboxamide
CID 58418239
5-methyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide
CID 2594407

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-[(5-methylthiophene-2-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[(1S)-1-[(5-methylthiophene-2-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxylic acid (CID 164637639) is 2-[(1S)-1-[(5-methylthiophene-2-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[(1S)-1-[(5-methylthiophene-2-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[(1S)-1-[(5-methylthiophene-2-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxylic acid is Cc1ccc(C(=O)N[C@@H](C)c2ncc(C(=O)O)s2)s1.
What is the InChIKey of 2-[(1S)-1-[(5-methylthiophene-2-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxylic acid?
The InChIKey is JOECAJQHQITOJA-ZETCQYMHSA-N. The full InChI is InChI=1S/C12H12N2O3S2/c1-6-3-4-8(18-6)10(15)14-7(2)11-13-5-9(19-11)12(16)17/h3-5,7H,1-2H3,(H,14,15)(H,16,17)/t7-/m0/s1.
What are the key properties of 2-[(1S)-1-[(5-methylthiophene-2-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxylic acid?
2-[(1S)-1-[(5-methylthiophene-2-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxylic acid has a molecular weight of 296.37 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-[(5-methylthiophene-2-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 164637639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).