2-methyl-N-[2-methyl-5-(propanoylamino)phenyl]-1,3-benzothiazole-5-carboxamide

C19H19N3O2S — CID 131921298

IUPAC2-methyl-N-[2-methyl-5-(propanoylamino)phenyl]-1,3-benzothiazole-5-carboxamide
SMILESCCC(=O)Nc1ccc(C)c(NC(=O)c2ccc3sc(C)nc3c2)c1
InChIInChI=1S/C19H19N3O2S/c1-4-18(23)21-14-7-5-11(2)15(10-14)22-19(24)13-6-8-17-16(9-13)20-12(3)25-17/h5-10H,4H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyVZHVOKOFJHXZMN-UHFFFAOYSA-N
MW353.45 g/mol
LogP4.51
Rot. Bonds4

About 2-methyl-N-[2-methyl-5-(propanoylamino)phenyl]-1,3-benzothiazole-5-carboxamide

2-methyl-N-[2-methyl-5-(propanoylamino)phenyl]-1,3-benzothiazole-5-carboxamide (PubChem CID 131921298) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is 2-methyl-N-[2-methyl-5-(propanoylamino)phenyl]-1,3-benzothiazole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[2-methyl-5-(propanoylamino)phenyl]-1,3-benzothiazole-5-carboxamide
PubChem CID131921298
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Name2-methyl-N-[2-methyl-5-(propanoylamino)phenyl]-1,3-benzothiazole-5-carboxamide
SMILESCCC(=O)Nc1ccc(C)c(NC(=O)c2ccc3sc(C)nc3c2)c1
InChIInChI=1S/C19H19N3O2S/c1-4-18(23)21-14-7-5-11(2)15(10-14)22-19(24)13-6-8-17-16(9-13)20-12(3)25-17/h5-10H,4H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyVZHVOKOFJHXZMN-UHFFFAOYSA-N
XLogP4.51
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-4-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzamide
CID 11301035
N-(2,5-dimethylphenyl)-4-(propanoylamino)benzamide
CID 17257324
2-methyl-N-(4-propan-2-ylphenyl)-1,3-benzothiazole-5-carboxamide
CID 69268312
N-[2-methyl-5-(propanoylamino)phenyl]-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
CID 46467205
N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-3-(propanoylamino)benzamide
CID 55840659
3-benzamido-4-methyl-N-[4-(propanoylamino)phenyl]benzamide
CID 55788298
3,5-dichloro-N-[4-[[2-methyl-5-(propanoylamino)phenyl]carbamoyl]phenyl]benzamide
CID 55724997
N-(2-hydroxyethyl)-2-methyl-1,3-benzothiazole-5-carboxamide
CID 27089017
N-[4-methyl-3-(propanoylamino)phenyl]pyridine-4-carboxamide
CID 46761053
N-[2-methyl-5-(propanoylamino)phenyl]-4-pyrrol-1-ylbenzamide
CID 46478145
3-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)butanamide
CID 110442147
2-(4-methylphenyl)-N-[2-methyl-5-(propanoylamino)phenyl]-1,3-thiazole-4-carboxamide
CID 46478243

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-methyl-5-(propanoylamino)phenyl]-1,3-benzothiazole-5-carboxamide?
The IUPAC name of 2-methyl-N-[2-methyl-5-(propanoylamino)phenyl]-1,3-benzothiazole-5-carboxamide (CID 131921298) is 2-methyl-N-[2-methyl-5-(propanoylamino)phenyl]-1,3-benzothiazole-5-carboxamide.
What is the SMILES notation for 2-methyl-N-[2-methyl-5-(propanoylamino)phenyl]-1,3-benzothiazole-5-carboxamide?
The canonical SMILES for 2-methyl-N-[2-methyl-5-(propanoylamino)phenyl]-1,3-benzothiazole-5-carboxamide is CCC(=O)Nc1ccc(C)c(NC(=O)c2ccc3sc(C)nc3c2)c1.
What is the InChIKey of 2-methyl-N-[2-methyl-5-(propanoylamino)phenyl]-1,3-benzothiazole-5-carboxamide?
The InChIKey is VZHVOKOFJHXZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-4-18(23)21-14-7-5-11(2)15(10-14)22-19(24)13-6-8-17-16(9-13)20-12(3)25-17/h5-10H,4H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of 2-methyl-N-[2-methyl-5-(propanoylamino)phenyl]-1,3-benzothiazole-5-carboxamide?
2-methyl-N-[2-methyl-5-(propanoylamino)phenyl]-1,3-benzothiazole-5-carboxamide has a molecular weight of 353.45 g/mol, XLogP of 4.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-methyl-5-(propanoylamino)phenyl]-1,3-benzothiazole-5-carboxamide is sourced from PubChem (CID 131921298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).