N-(2-methoxy-4-pyridinyl)-2-methyl-1,3-benzothiazole-6-carboxamide

C15H13N3O2S — CID 57412048

IUPACN-(2-methoxy-4-pyridinyl)-2-methyl-1,3-benzothiazole-6-carboxamide
SMILESCOc1cc(NC(=O)c2ccc3nc(C)sc3c2)ccn1
InChIInChI=1S/C15H13N3O2S/c1-9-17-12-4-3-10(7-13(12)21-9)15(19)18-11-5-6-16-14(8-11)20-2/h3-8H,1-2H3,(H,16,18,19)
InChIKeyBRIIJXSCJFUBQE-UHFFFAOYSA-N
MW299.36 g/mol
LogP3.26
Rot. Bonds3

About N-(2-methoxy-4-pyridinyl)-2-methyl-1,3-benzothiazole-6-carboxamide

N-(2-methoxy-4-pyridinyl)-2-methyl-1,3-benzothiazole-6-carboxamide (PubChem CID 57412048) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is N-(2-methoxy-4-pyridinyl)-2-methyl-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-4-pyridinyl)-2-methyl-1,3-benzothiazole-6-carboxamide
PubChem CID57412048
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC NameN-(2-methoxy-4-pyridinyl)-2-methyl-1,3-benzothiazole-6-carboxamide
SMILESCOc1cc(NC(=O)c2ccc3nc(C)sc3c2)ccn1
InChIInChI=1S/C15H13N3O2S/c1-9-17-12-4-3-10(7-13(12)21-9)15(19)18-11-5-6-16-14(8-11)20-2/h3-8H,1-2H3,(H,16,18,19)
InChIKeyBRIIJXSCJFUBQE-UHFFFAOYSA-N
XLogP3.26
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-methoxy-4-pyridinyl)-2-methyl-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-Methyl-benzothiazole-6-carboxylic acid (4-methoxy-phenyl)-amide
CID 1085963
N-(pyridin-4-yl)-1,3-benzothiazole-6-carboxamide
CID 18109210
N-(4-methoxyphenyl)-1,3-benzothiazole-6-carboxamide
CID 712478
2-Methyl-benzothiazole-6-carboxylic acid (3-methoxy-phenyl)-amide
CID 1085964
N-(2-methoxyphenyl)-2-methyl-1,3-benzothiazole-6-carboxamide
CID 1085962
5-(4-Methoxyphenyl)-13-(methylamino)-8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
CID 16117046
2-ethoxy-N-(2-methyl-1,3-benzothiazol-6-yl)pyridine-3-carboxamide
CID 2085163
3-Amino-4-methoxythieno[2,3-b]pyridine-2-carboxamide
CID 10242687
N-[(3-methoxyphenyl)methyl]-1,3-benzothiazole-6-carboxamide
CID 26865318
CL-Cob-III-273-7
CID 57412038
6-(2,4-Dimethoxypyridin-3-yl)-1-((2-methylbenzo[d]thiazol-6-yl)methyl)piperidin-2-one
CID 86695638
N-[5-(5-methoxy-1,3-benzothiazol-2-yl)-2-methyl-4-pyridinyl]acetamide
CID 134434330

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-4-pyridinyl)-2-methyl-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-(2-methoxy-4-pyridinyl)-2-methyl-1,3-benzothiazole-6-carboxamide (CID 57412048) is N-(2-methoxy-4-pyridinyl)-2-methyl-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-(2-methoxy-4-pyridinyl)-2-methyl-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-(2-methoxy-4-pyridinyl)-2-methyl-1,3-benzothiazole-6-carboxamide is COc1cc(NC(=O)c2ccc3nc(C)sc3c2)ccn1.
What is the InChIKey of N-(2-methoxy-4-pyridinyl)-2-methyl-1,3-benzothiazole-6-carboxamide?
The InChIKey is BRIIJXSCJFUBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c1-9-17-12-4-3-10(7-13(12)21-9)15(19)18-11-5-6-16-14(8-11)20-2/h3-8H,1-2H3,(H,16,18,19).
What are the key properties of N-(2-methoxy-4-pyridinyl)-2-methyl-1,3-benzothiazole-6-carboxamide?
N-(2-methoxy-4-pyridinyl)-2-methyl-1,3-benzothiazole-6-carboxamide has a molecular weight of 299.36 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-4-pyridinyl)-2-methyl-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 57412048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).