4-acetamido-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide

C17H15N3O2S — CID 974126

IUPAC4-acetamido-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
SMILESCC(=O)Nc1ccc(C(=O)Nc2nc3c(C)cccc3s2)cc1
InChIInChI=1S/C17H15N3O2S/c1-10-4-3-5-14-15(10)19-17(23-14)20-16(22)12-6-8-13(9-7-12)18-11(2)21/h3-9H,1-2H3,(H,18,21)(H,19,20,22)
InChIKeyUVVBQKGVGKRMQH-UHFFFAOYSA-N
MW325.39 g/mol
LogP3.82
Rot. Bonds3

About 4-acetamido-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide

4-acetamido-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide (PubChem CID 974126) has the molecular formula C17H15N3O2S and a molecular weight of 325.39 g/mol. Its IUPAC name is 4-acetamido-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-acetamido-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
PubChem CID974126
Molecular FormulaC17H15N3O2S
Molecular Weight325.39 g/mol
Exact Mass325.09
IUPAC Name4-acetamido-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
SMILESCC(=O)Nc1ccc(C(=O)Nc2nc3c(C)cccc3s2)cc1
InChIInChI=1S/C17H15N3O2S/c1-10-4-3-5-14-15(10)19-17(23-14)20-16(22)12-6-8-13(9-7-12)18-11(2)21/h3-9H,1-2H3,(H,18,21)(H,19,20,22)
InChIKeyUVVBQKGVGKRMQH-UHFFFAOYSA-N
XLogP3.82
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(diethylamino)-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 5072919
4-butyl-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 4551607
4-ethylsulfanyl-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 7579181
N-(4-methyl-1,3-benzothiazol-2-yl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 24608180
N-(4-methyl-1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide
CID 8840391
3-methoxy-4-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 18126566
N-[3-[(4-methyl-1,3-benzothiazol-2-yl)amino]phenyl]acetamide
CID 79129777
2-benzamido-N-(4-methyl-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 16914998
N-(4-methyl-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide
CID 7266872
2-hydroxy-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 18126545
N-(4-methyl-1,3-benzothiazol-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 2640846
N-(4-methyl-1,3-benzothiazol-2-yl)-2-(trifluoromethyl)pyrimidine-5-carboxamide
CID 167869882

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 4-acetamido-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide (CID 974126) is 4-acetamido-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 4-acetamido-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 4-acetamido-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide is CC(=O)Nc1ccc(C(=O)Nc2nc3c(C)cccc3s2)cc1.
What is the InChIKey of 4-acetamido-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is UVVBQKGVGKRMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S/c1-10-4-3-5-14-15(10)19-17(23-14)20-16(22)12-6-8-13(9-7-12)18-11(2)21/h3-9H,1-2H3,(H,18,21)(H,19,20,22).
What are the key properties of 4-acetamido-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide?
4-acetamido-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 325.39 g/mol, XLogP of 3.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 974126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).