2-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1,3-benzothiazole-6-carboxamide

C13H12N4OS2 — CID 65349208

IUPAC2-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1,3-benzothiazole-6-carboxamide
SMILESCN(Cc1cscn1)C(=O)c1ccc2nc(N)sc2c1
InChIInChI=1S/C13H12N4OS2/c1-17(5-9-6-19-7-15-9)12(18)8-2-3-10-11(4-8)20-13(14)16-10/h2-4,6-7H,5H2,1H3,(H2,14,16)
InChIKeyXCEHXESZMBUAQZ-UHFFFAOYSA-N
MW304.40 g/mol
LogP2.61
Rot. Bonds3

About 2-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1,3-benzothiazole-6-carboxamide

2-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1,3-benzothiazole-6-carboxamide (PubChem CID 65349208) has the molecular formula C13H12N4OS2 and a molecular weight of 304.40 g/mol. Its IUPAC name is 2-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound Name2-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1,3-benzothiazole-6-carboxamide
PubChem CID65349208
Molecular FormulaC13H12N4OS2
Molecular Weight304.40 g/mol
Exact Mass304.05
IUPAC Name2-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1,3-benzothiazole-6-carboxamide
SMILESCN(Cc1cscn1)C(=O)c1ccc2nc(N)sc2c1
InChIInChI=1S/C13H12N4OS2/c1-17(5-9-6-19-7-15-9)12(18)8-2-3-10-11(4-8)20-13(14)16-10/h2-4,6-7H,5H2,1H3,(H2,14,16)
InChIKeyXCEHXESZMBUAQZ-UHFFFAOYSA-N
XLogP2.61
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)-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

2-amino-N-methyl-N-(thiophen-3-ylmethyl)-1,3-benzothiazole-6-carboxamide
CID 60668647
4-amino-N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 55013339
2-amino-N-methyl-N-(2-methylprop-2-enyl)-1,3-benzothiazole-6-carboxamide
CID 113498617
3-[(2-amino-1,3-benzothiazole-6-carbonyl)-methylamino]propanoic acid
CID 65349258
4-fluoro-N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 55163854
2-amino-N-(cyclopropylmethyl)-N-methyl-1,3-benzothiazole-6-carboxamide
CID 65349726
3-hydroxy-4-iodo-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 113434706
2-amino-N-(3-methoxypropyl)-N-methyl-1,3-benzothiazole-6-carboxamide
CID 65349262
2-amino-6-chloro-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridine-4-carboxamide
CID 62159832
2-amino-N,N-bis(2-methylpropyl)-1,3-benzothiazole-6-carboxamide
CID 60655171
2-amino-N-methyl-N-(4-methylphenyl)-1,3-benzothiazole-6-carboxamide
CID 65349067
3-amino-4,5-dichloro-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 55013795

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1,3-benzothiazole-6-carboxamide?
The IUPAC name of 2-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1,3-benzothiazole-6-carboxamide (CID 65349208) is 2-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for 2-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for 2-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1,3-benzothiazole-6-carboxamide is CN(Cc1cscn1)C(=O)c1ccc2nc(N)sc2c1.
What is the InChIKey of 2-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1,3-benzothiazole-6-carboxamide?
The InChIKey is XCEHXESZMBUAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4OS2/c1-17(5-9-6-19-7-15-9)12(18)8-2-3-10-11(4-8)20-13(14)16-10/h2-4,6-7H,5H2,1H3,(H2,14,16).
What are the key properties of 2-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1,3-benzothiazole-6-carboxamide?
2-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1,3-benzothiazole-6-carboxamide has a molecular weight of 304.40 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 65349208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).