2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-1,3-benzothiazole-6-carboxamide

C13H13N5OS — CID 104618861

IUPAC2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-1,3-benzothiazole-6-carboxamide
SMILESCc1[nH]nc(NC(=O)c2ccc3nc(N)sc3c2)c1C
InChIInChI=1S/C13H13N5OS/c1-6-7(2)17-18-11(6)16-12(19)8-3-4-9-10(5-8)20-13(14)15-9/h3-5H,1-2H3,(H2,14,15)(H2,16,17,18,19)
InChIKeyNDOQHLCWTSBLJB-UHFFFAOYSA-N
MW287.35 g/mol
LogP2.47
Rot. Bonds2

About 2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-1,3-benzothiazole-6-carboxamide

2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-1,3-benzothiazole-6-carboxamide (PubChem CID 104618861) has the molecular formula C13H13N5OS and a molecular weight of 287.35 g/mol. Its IUPAC name is 2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound Name2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-1,3-benzothiazole-6-carboxamide
PubChem CID104618861
Molecular FormulaC13H13N5OS
Molecular Weight287.35 g/mol
Exact Mass287.08
IUPAC Name2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-1,3-benzothiazole-6-carboxamide
SMILESCc1[nH]nc(NC(=O)c2ccc3nc(N)sc3c2)c1C
InChIInChI=1S/C13H13N5OS/c1-6-7(2)17-18-11(6)16-12(19)8-3-4-9-10(5-8)20-13(14)15-9/h3-5H,1-2H3,(H2,14,15)(H2,16,17,18,19)
InChIKeyNDOQHLCWTSBLJB-UHFFFAOYSA-N
XLogP2.47
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-1,3-benzothiazole-6-carboxamide 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

N-(4,5-dimethyl-1H-pyrazol-3-yl)-3,4-dimethylbenzamide
CID 112687360
3-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-methylbenzamide
CID 104616482
2-amino-N-(3,4-dimethylphenyl)-1,3-benzothiazole-6-carboxamide
CID 60636051
2-amino-N-(4-fluorophenyl)-1,3-benzothiazole-6-carboxamide
CID 60636089
2-amino-N-(4-methyl-1,3-thiazol-2-yl)-1,3-benzothiazole-6-carboxamide
CID 65349764
2-amino-N-(3-chloro-2-methylphenyl)-1,3-benzothiazole-6-carboxamide
CID 60635946
N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylbenzamide
CID 113227581
2-amino-N-(2,5-dimethylpyrazol-3-yl)-1,3-benzothiazole-6-carboxamide
CID 65349670
2-amino-N-(3-bromo-5-methylphenyl)-1,3-benzothiazole-6-carboxamide
CID 107583466
2-amino-N-pyrimidin-2-yl-1,3-benzothiazole-6-carboxamide
CID 60719150
3-amino-4-(dimethylamino)-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide
CID 104616472
2-amino-N-(3,4-dichlorophenyl)-1,3-benzothiazole-6-carboxamide
CID 60635776

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-1,3-benzothiazole-6-carboxamide?
The IUPAC name of 2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-1,3-benzothiazole-6-carboxamide (CID 104618861) is 2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for 2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for 2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-1,3-benzothiazole-6-carboxamide is Cc1[nH]nc(NC(=O)c2ccc3nc(N)sc3c2)c1C.
What is the InChIKey of 2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-1,3-benzothiazole-6-carboxamide?
The InChIKey is NDOQHLCWTSBLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5OS/c1-6-7(2)17-18-11(6)16-12(19)8-3-4-9-10(5-8)20-13(14)15-9/h3-5H,1-2H3,(H2,14,15)(H2,16,17,18,19).
What are the key properties of 2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-1,3-benzothiazole-6-carboxamide?
2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-1,3-benzothiazole-6-carboxamide has a molecular weight of 287.35 g/mol, XLogP of 2.47, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 104618861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).