2-(1-benzothiophen-5-ylamino)-4-methyl-1,3-thiazole-5-carboxylic acid

C13H10N2O2S2 — CID 80570081

IUPAC2-(1-benzothiophen-5-ylamino)-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(Nc2ccc3sccc3c2)sc1C(=O)O
InChIInChI=1S/C13H10N2O2S2/c1-7-11(12(16)17)19-13(14-7)15-9-2-3-10-8(6-9)4-5-18-10/h2-6H,1H3,(H,14,15)(H,16,17)
InChIKeyRWANZFUNTXDGNK-UHFFFAOYSA-N
MW290.37 g/mol
LogP4.11
Rot. Bonds3

About 2-(1-benzothiophen-5-ylamino)-4-methyl-1,3-thiazole-5-carboxylic acid

2-(1-benzothiophen-5-ylamino)-4-methyl-1,3-thiazole-5-carboxylic acid (PubChem CID 80570081) has the molecular formula C13H10N2O2S2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-(1-benzothiophen-5-ylamino)-4-methyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(1-benzothiophen-5-ylamino)-4-methyl-1,3-thiazole-5-carboxylic acid
PubChem CID80570081
Molecular FormulaC13H10N2O2S2
Molecular Weight290.37 g/mol
Exact Mass290.02
IUPAC Name2-(1-benzothiophen-5-ylamino)-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(Nc2ccc3sccc3c2)sc1C(=O)O
InChIInChI=1S/C13H10N2O2S2/c1-7-11(12(16)17)19-13(14-7)15-9-2-3-10-8(6-9)4-5-18-10/h2-6H,1H3,(H,14,15)(H,16,17)
InChIKeyRWANZFUNTXDGNK-UHFFFAOYSA-N
XLogP4.11
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-bromo-4-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 104781919
2-(3,4-dicyanoanilino)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 107794681
2-[4-fluoro-3-(trifluoromethyl)anilino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 80568805
4-methyl-2-(4-methylsulfonylanilino)-1,3-thiazole-5-carboxylic acid
CID 80569518
6-(1-benzothiophen-5-ylamino)pyridazine-3-carboxylic acid
CID 65450510
4-methyl-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-5-carboxylic acid
CID 75176671
2-[3-(methoxymethyl)anilino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 80569682
4-methyl-2-(2,4,6-trimethylanilino)-1,3-thiazole-5-carboxylic acid
CID 9154510
2-(2,5-dimethylanilino)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 1132750
2-amino-4-(1-benzothiophen-5-ylamino)benzoic acid
CID 104500715
bis(2-anilino-4-methyl-1,3-thiazol-5-yl)methanone
CID 87664196
5-(1-benzothiophen-5-ylamino)furan-2-carboxylic acid
CID 65450512

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-5-ylamino)-4-methyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(1-benzothiophen-5-ylamino)-4-methyl-1,3-thiazole-5-carboxylic acid (CID 80570081) is 2-(1-benzothiophen-5-ylamino)-4-methyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(1-benzothiophen-5-ylamino)-4-methyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(1-benzothiophen-5-ylamino)-4-methyl-1,3-thiazole-5-carboxylic acid is Cc1nc(Nc2ccc3sccc3c2)sc1C(=O)O.
What is the InChIKey of 2-(1-benzothiophen-5-ylamino)-4-methyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is RWANZFUNTXDGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2S2/c1-7-11(12(16)17)19-13(14-7)15-9-2-3-10-8(6-9)4-5-18-10/h2-6H,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-(1-benzothiophen-5-ylamino)-4-methyl-1,3-thiazole-5-carboxylic acid?
2-(1-benzothiophen-5-ylamino)-4-methyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 290.37 g/mol, XLogP of 4.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-5-ylamino)-4-methyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 80570081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).