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

C16H14N2OS2 — CID 7266872

IUPACN-(4-methyl-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide
SMILESCSc1cccc(C(=O)Nc2nc3c(C)cccc3s2)c1
InChIInChI=1S/C16H14N2OS2/c1-10-5-3-8-13-14(10)17-16(21-13)18-15(19)11-6-4-7-12(9-11)20-2/h3-9H,1-2H3,(H,17,18,19)
InChIKeyHUOUBJCWKUZCRX-UHFFFAOYSA-N
MW314.44 g/mol
LogP4.58
Rot. Bonds3

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

N-(4-methyl-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide (PubChem CID 7266872) has the molecular formula C16H14N2OS2 and a molecular weight of 314.44 g/mol. Its IUPAC name is N-(4-methyl-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide
PubChem CID7266872
Molecular FormulaC16H14N2OS2
Molecular Weight314.44 g/mol
Exact Mass314.05
IUPAC NameN-(4-methyl-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide
SMILESCSc1cccc(C(=O)Nc2nc3c(C)cccc3s2)c1
InChIInChI=1S/C16H14N2OS2/c1-10-5-3-8-13-14(10)17-16(21-13)18-15(19)11-6-4-7-12(9-11)20-2/h3-9H,1-2H3,(H,17,18,19)
InChIKeyHUOUBJCWKUZCRX-UHFFFAOYSA-N
XLogP4.58
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.44
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methyl-1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide
CID 8840391
3-methyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide
CID 7615162
N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide
CID 7565106
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide
CID 7565266
3-methoxy-4-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 18126566
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide
CID 7266927
4-ethylsulfanyl-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 7579181
N-(4-methyl-1,3-benzothiazol-2-yl)-3-(methylsulfinylmethyl)benzamide
CID 18138513
N'-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzohydrazide
CID 7600332
4-acetamido-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 974126
N'-(4-chloro-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzohydrazide
CID 7599849
N'-(4-ethyl-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzohydrazide
CID 7599930

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide?
The IUPAC name of N-(4-methyl-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide (CID 7266872) is N-(4-methyl-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide.
What is the SMILES notation for N-(4-methyl-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide?
The canonical SMILES for N-(4-methyl-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide is CSc1cccc(C(=O)Nc2nc3c(C)cccc3s2)c1.
What is the InChIKey of N-(4-methyl-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide?
The InChIKey is HUOUBJCWKUZCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2OS2/c1-10-5-3-8-13-14(10)17-16(21-13)18-15(19)11-6-4-7-12(9-11)20-2/h3-9H,1-2H3,(H,17,18,19).
What are the key properties of N-(4-methyl-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide?
N-(4-methyl-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide has a molecular weight of 314.44 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide is sourced from PubChem (CID 7266872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).