N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2,5-dimethylbenzamide

C17H15ClN2OS — CID 7193169

IUPACN-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2,5-dimethylbenzamide
SMILESCc1ccc(C)c(C(=O)Nc2nc3c(C)ccc(Cl)c3s2)c1
InChIInChI=1S/C17H15ClN2OS/c1-9-4-5-10(2)12(8-9)16(21)20-17-19-14-11(3)6-7-13(18)15(14)22-17/h4-8H,1-3H3,(H,19,20,21)
InChIKeyRPAXZJTZOLQTFB-UHFFFAOYSA-N
MW330.84 g/mol
LogP5.13
Rot. Bonds2

About N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2,5-dimethylbenzamide

N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2,5-dimethylbenzamide (PubChem CID 7193169) has the molecular formula C17H15ClN2OS and a molecular weight of 330.84 g/mol. Its IUPAC name is N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2,5-dimethylbenzamide.

Molecular Properties

Compound NameN-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2,5-dimethylbenzamide
PubChem CID7193169
Molecular FormulaC17H15ClN2OS
Molecular Weight330.84 g/mol
Exact Mass330.06
IUPAC NameN-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2,5-dimethylbenzamide
SMILESCc1ccc(C)c(C(=O)Nc2nc3c(C)ccc(Cl)c3s2)c1
InChIInChI=1S/C17H15ClN2OS/c1-9-4-5-10(2)12(8-9)16(21)20-17-19-14-11(3)6-7-13(18)15(14)22-17/h4-8H,1-3H3,(H,19,20,21)
InChIKeyRPAXZJTZOLQTFB-UHFFFAOYSA-N
XLogP5.13
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.84
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2,5-dimethylbenzohydrazide
CID 7600199
N'-(4,7-dichloro-1,3-benzothiazol-2-yl)-2,5-dimethylbenzohydrazide
CID 7600050
N-(4-chloro-1,3-benzothiazol-2-yl)-2,5-dimethylbenzamide
CID 3575126
5-chloro-N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-nitrobenzamide
CID 7192936
2-bromo-N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-5-methoxybenzamide
CID 121081444
3-chloro-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-4-methylbenzamide
CID 17100933
2,5-dichloro-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 3297562
N-(4-ethoxy-1,3-benzothiazol-2-yl)-2,5-dimethylbenzamide
CID 3344551
N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-propan-2-ylsulfonylbenzamide
CID 41148747
[4-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2,5-dimethylphenyl)methanone
CID 7540355
N-(5-amino-1,3,4-thiadiazol-2-yl)-2,5-dimethylbenzamide
CID 79513275
N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 121083019

Frequently Asked Questions

What is the IUPAC name of N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2,5-dimethylbenzamide?
The IUPAC name of N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2,5-dimethylbenzamide (CID 7193169) is N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2,5-dimethylbenzamide.
What is the SMILES notation for N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2,5-dimethylbenzamide?
The canonical SMILES for N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2,5-dimethylbenzamide is Cc1ccc(C)c(C(=O)Nc2nc3c(C)ccc(Cl)c3s2)c1.
What is the InChIKey of N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2,5-dimethylbenzamide?
The InChIKey is RPAXZJTZOLQTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2OS/c1-9-4-5-10(2)12(8-9)16(21)20-17-19-14-11(3)6-7-13(18)15(14)22-17/h4-8H,1-3H3,(H,19,20,21).
What are the key properties of N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2,5-dimethylbenzamide?
N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2,5-dimethylbenzamide has a molecular weight of 330.84 g/mol, XLogP of 5.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2,5-dimethylbenzamide is sourced from PubChem (CID 7193169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).