5-[(4,5-dimethylthiophene-2-carbonyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid

C12H12N2O3S2 — CID 60869952

IUPAC5-[(4,5-dimethylthiophene-2-carbonyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
SMILESCc1cc(C(=O)Nc2snc(C)c2C(=O)O)sc1C
InChIInChI=1S/C12H12N2O3S2/c1-5-4-8(18-7(5)3)10(15)13-11-9(12(16)17)6(2)14-19-11/h4H,1-3H3,(H,13,15)(H,16,17)
InChIKeyFRYZJAHQHRMSEN-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.08
Rot. Bonds3

About 5-[(4,5-dimethylthiophene-2-carbonyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid

5-[(4,5-dimethylthiophene-2-carbonyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid (PubChem CID 60869952) has the molecular formula C12H12N2O3S2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 5-[(4,5-dimethylthiophene-2-carbonyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[(4,5-dimethylthiophene-2-carbonyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
PubChem CID60869952
Molecular FormulaC12H12N2O3S2
Molecular Weight296.37 g/mol
Exact Mass296.03
IUPAC Name5-[(4,5-dimethylthiophene-2-carbonyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
SMILESCc1cc(C(=O)Nc2snc(C)c2C(=O)O)sc1C
InChIInChI=1S/C12H12N2O3S2/c1-5-4-8(18-7(5)3)10(15)13-11-9(12(16)17)6(2)14-19-11/h4H,1-3H3,(H,13,15)(H,16,17)
InChIKeyFRYZJAHQHRMSEN-UHFFFAOYSA-N
XLogP3.08
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3,5-dibromobenzoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 107971278
3-methyl-5-[(4-methylbenzoyl)amino]-1,2-thiazole-4-carboxylic acid
CID 60871159
3-methyl-5-[(2-methylpyridine-4-carbonyl)amino]-1,2-thiazole-4-carboxylic acid
CID 106752533
5-[(3-bromobenzoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 60868992
5-[(4-chloro-1H-pyrrole-2-carbonyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 60868632
5-[(5-chloropyrazine-2-carbonyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 107371456
3-methyl-5-(pyridazine-4-carbonylamino)-1,2-thiazole-4-carboxylic acid
CID 104669483
5-[(2-bromobenzoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 60870770
5-[(2-methoxy-5-methylbenzoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 60869940
5-[(3-amino-4-bromobenzoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 107813189
5-[(3-bromo-4-chlorobenzoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 107997772
3-methyl-5-[(1-methyl-2-oxopyridine-4-carbonyl)amino]-1,2-thiazole-4-carboxylic acid
CID 60869010

Frequently Asked Questions

What is the IUPAC name of 5-[(4,5-dimethylthiophene-2-carbonyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid?
The IUPAC name of 5-[(4,5-dimethylthiophene-2-carbonyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid (CID 60869952) is 5-[(4,5-dimethylthiophene-2-carbonyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-[(4,5-dimethylthiophene-2-carbonyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid?
The canonical SMILES for 5-[(4,5-dimethylthiophene-2-carbonyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid is Cc1cc(C(=O)Nc2snc(C)c2C(=O)O)sc1C.
What is the InChIKey of 5-[(4,5-dimethylthiophene-2-carbonyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid?
The InChIKey is FRYZJAHQHRMSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3S2/c1-5-4-8(18-7(5)3)10(15)13-11-9(12(16)17)6(2)14-19-11/h4H,1-3H3,(H,13,15)(H,16,17).
What are the key properties of 5-[(4,5-dimethylthiophene-2-carbonyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid?
5-[(4,5-dimethylthiophene-2-carbonyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid has a molecular weight of 296.37 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4,5-dimethylthiophene-2-carbonyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid is sourced from PubChem (CID 60869952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).