N-(2-methylphenyl)-1,3-benzothiazole-2-carboxamide

C15H12N2OS — CID 2445261

IUPACN-(2-methylphenyl)-1,3-benzothiazole-2-carboxamide
SMILESCc1ccccc1NC(=O)c1nc2ccccc2s1
InChIInChI=1S/C15H12N2OS/c1-10-6-2-3-7-11(10)16-14(18)15-17-12-8-4-5-9-13(12)19-15/h2-9H,1H3,(H,16,18)
InChIKeyCACLKCUGIOIBGE-UHFFFAOYSA-N
MW268.34 g/mol
LogP3.86
Rot. Bonds2

About N-(2-methylphenyl)-1,3-benzothiazole-2-carboxamide

N-(2-methylphenyl)-1,3-benzothiazole-2-carboxamide (PubChem CID 2445261) has the molecular formula C15H12N2OS and a molecular weight of 268.34 g/mol. Its IUPAC name is N-(2-methylphenyl)-1,3-benzothiazole-2-carboxamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-1,3-benzothiazole-2-carboxamide
PubChem CID2445261
Molecular FormulaC15H12N2OS
Molecular Weight268.34 g/mol
Exact Mass268.07
IUPAC NameN-(2-methylphenyl)-1,3-benzothiazole-2-carboxamide
SMILESCc1ccccc1NC(=O)c1nc2ccccc2s1
InChIInChI=1S/C15H12N2OS/c1-10-6-2-3-7-11(10)16-14(18)15-17-12-8-4-5-9-13(12)19-15/h2-9H,1H3,(H,16,18)
InChIKeyCACLKCUGIOIBGE-UHFFFAOYSA-N
XLogP3.86
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluorophenyl)-1,3-benzothiazole-2-carboxamide
CID 5124389
N-(1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide
CID 86264452
N-phenyl-1,3-benzothiazole-2-carboxamide
CID 900706
N-[3-(1,3-benzothiazole-2-carbonylamino)-4-pyridinyl]-1,3-benzothiazole-2-carboxamide
CID 3308592
2-(1,3-benzothiazol-2-ylamino)-4,6-dimethyl-N-(2-methylphenyl)pyrimidine-5-carboxamide
CID 1082784
N-(4-methoxyphenyl)-1,3-benzothiazole-2-carboxamide
CID 724615
N-(2-methyl-4-pyridinyl)-1,3-benzothiazole-2-carboxamide
CID 110700628
N-(5-fluoro-2-hydroxyphenyl)-1,3-benzothiazole-2-carboxamide
CID 118657800
N-(2,4-dimethoxypyrimidin-5-yl)-1,3-benzothiazole-2-carboxamide
CID 122304064
N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]benzamide
CID 17100714
5-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)pentanamide
CID 9039379
1,3-benzothiazol-2-ylmethyl-methyl-[2-(2-methylanilino)-2-oxoethyl]azanium
CID 8801475

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-1,3-benzothiazole-2-carboxamide?
The IUPAC name of N-(2-methylphenyl)-1,3-benzothiazole-2-carboxamide (CID 2445261) is N-(2-methylphenyl)-1,3-benzothiazole-2-carboxamide.
What is the SMILES notation for N-(2-methylphenyl)-1,3-benzothiazole-2-carboxamide?
The canonical SMILES for N-(2-methylphenyl)-1,3-benzothiazole-2-carboxamide is Cc1ccccc1NC(=O)c1nc2ccccc2s1.
What is the InChIKey of N-(2-methylphenyl)-1,3-benzothiazole-2-carboxamide?
The InChIKey is CACLKCUGIOIBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2OS/c1-10-6-2-3-7-11(10)16-14(18)15-17-12-8-4-5-9-13(12)19-15/h2-9H,1H3,(H,16,18).
What are the key properties of N-(2-methylphenyl)-1,3-benzothiazole-2-carboxamide?
N-(2-methylphenyl)-1,3-benzothiazole-2-carboxamide has a molecular weight of 268.34 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-1,3-benzothiazole-2-carboxamide is sourced from PubChem (CID 2445261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).