3-[(5,6-dimethyl-1,3-benzothiazol-2-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid

C15H14N4O3S — CID 29095797

IUPAC3-[(5,6-dimethyl-1,3-benzothiazol-2-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
SMILESCc1cc2nc(NC(=O)c3nn(C)cc3C(=O)O)sc2cc1C
InChIInChI=1S/C15H14N4O3S/c1-7-4-10-11(5-8(7)2)23-15(16-10)17-13(20)12-9(14(21)22)6-19(3)18-12/h4-6H,1-3H3,(H,21,22)(H,16,17,20)
InChIKeyDOJZIGWZPVAADS-UHFFFAOYSA-N
MW330.37 g/mol
LogP2.60
Rot. Bonds3

About 3-[(5,6-dimethyl-1,3-benzothiazol-2-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid

3-[(5,6-dimethyl-1,3-benzothiazol-2-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid (PubChem CID 29095797) has the molecular formula C15H14N4O3S and a molecular weight of 330.37 g/mol. Its IUPAC name is 3-[(5,6-dimethyl-1,3-benzothiazol-2-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name3-[(5,6-dimethyl-1,3-benzothiazol-2-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
PubChem CID29095797
Molecular FormulaC15H14N4O3S
Molecular Weight330.37 g/mol
Exact Mass330.08
IUPAC Name3-[(5,6-dimethyl-1,3-benzothiazol-2-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
SMILESCc1cc2nc(NC(=O)c3nn(C)cc3C(=O)O)sc2cc1C
InChIInChI=1S/C15H14N4O3S/c1-7-4-10-11(5-8(7)2)23-15(16-10)17-13(20)12-9(14(21)22)6-19(3)18-12/h4-6H,1-3H3,(H,21,22)(H,16,17,20)
InChIKeyDOJZIGWZPVAADS-UHFFFAOYSA-N
XLogP2.60
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[(5,6-dimethyl-1,3-benzothiazol-2-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 29096070
3-[(2,6-dimethylphenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 19496533
2-chloro-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 7524836
3-[(3-chloro-4-methylphenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 19498199
3-(hydrazinecarbonyl)-1-methylpyrazole-4-carboxylic acid
CID 25252406
N-(5,6-dimethyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 7524846
4-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-1-methylpyrazole-3-carboxamide
CID 65354962
N-(5,6-dimethyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide
CID 8670065
(2S)-2-chloro-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)propanamide
CID 28661952
3-[[4-(1-ethyl-3-methylpyrazol-4-yl)-1,3-thiazol-2-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 19498363
N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-pentoxybenzamide
CID 41047701
3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 29095813

Frequently Asked Questions

What is the IUPAC name of 3-[(5,6-dimethyl-1,3-benzothiazol-2-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid?
The IUPAC name of 3-[(5,6-dimethyl-1,3-benzothiazol-2-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid (CID 29095797) is 3-[(5,6-dimethyl-1,3-benzothiazol-2-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid.
What is the SMILES notation for 3-[(5,6-dimethyl-1,3-benzothiazol-2-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid?
The canonical SMILES for 3-[(5,6-dimethyl-1,3-benzothiazol-2-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid is Cc1cc2nc(NC(=O)c3nn(C)cc3C(=O)O)sc2cc1C.
What is the InChIKey of 3-[(5,6-dimethyl-1,3-benzothiazol-2-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid?
The InChIKey is DOJZIGWZPVAADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3S/c1-7-4-10-11(5-8(7)2)23-15(16-10)17-13(20)12-9(14(21)22)6-19(3)18-12/h4-6H,1-3H3,(H,21,22)(H,16,17,20).
What are the key properties of 3-[(5,6-dimethyl-1,3-benzothiazol-2-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid?
3-[(5,6-dimethyl-1,3-benzothiazol-2-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid has a molecular weight of 330.37 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5,6-dimethyl-1,3-benzothiazol-2-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid is sourced from PubChem (CID 29095797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).