N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-4-ethylbenzamide

C17H15ClN2OS — CID 17100920

IUPACN-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-4-ethylbenzamide
SMILESCCc1ccc(C(=O)Nc2nc3cc(Cl)c(C)cc3s2)cc1
InChIInChI=1S/C17H15ClN2OS/c1-3-11-4-6-12(7-5-11)16(21)20-17-19-14-9-13(18)10(2)8-15(14)22-17/h4-9H,3H2,1-2H3,(H,19,20,21)
InChIKeyIXIRORDVBAKRLM-UHFFFAOYSA-N
MW330.84 g/mol
LogP5.07
Rot. Bonds3

About N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-4-ethylbenzamide

N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-4-ethylbenzamide (PubChem CID 17100920) has the molecular formula C17H15ClN2OS and a molecular weight of 330.84 g/mol. Its IUPAC name is N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-4-ethylbenzamide.

Molecular Properties

Compound NameN-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-4-ethylbenzamide
PubChem CID17100920
Molecular FormulaC17H15ClN2OS
Molecular Weight330.84 g/mol
Exact Mass330.06
IUPAC NameN-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-4-ethylbenzamide
SMILESCCc1ccc(C(=O)Nc2nc3cc(Cl)c(C)cc3s2)cc1
InChIInChI=1S/C17H15ClN2OS/c1-3-11-4-6-12(7-5-11)16(21)20-17-19-14-9-13(18)10(2)8-15(14)22-17/h4-9H,3H2,1-2H3,(H,19,20,21)
InChIKeyIXIRORDVBAKRLM-UHFFFAOYSA-N
XLogP5.07
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.84
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2R)-butan-2-yl]oxy-N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 40625136
N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-3-methylbenzamide
CID 960429
N-(6-tert-butyl-1,3-benzothiazol-2-yl)-4-ethylbenzamide
CID 53269145
N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-2-methylsulfanylpyrimidine-5-carboxamide
CID 4308951
N-(5-fluoro-6-methyl-1,3-benzothiazol-2-yl)-4-methylbenzamide
CID 141404422
2,4-dichloro-N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 979290
N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide
CID 4502392
6-chloro-N-(6-ethyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 26243830
4-ethyl-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide
CID 2991104
N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-4-methylbenzamide
CID 17100996
methyl 2-[(3-chloro-4-methylbenzoyl)amino]-1,3-benzothiazole-6-carboxylate
CID 17128805
N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-pentoxybenzamide
CID 41047701

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-4-ethylbenzamide?
The IUPAC name of N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-4-ethylbenzamide (CID 17100920) is N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-4-ethylbenzamide.
What is the SMILES notation for N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-4-ethylbenzamide?
The canonical SMILES for N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-4-ethylbenzamide is CCc1ccc(C(=O)Nc2nc3cc(Cl)c(C)cc3s2)cc1.
What is the InChIKey of N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-4-ethylbenzamide?
The InChIKey is IXIRORDVBAKRLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2OS/c1-3-11-4-6-12(7-5-11)16(21)20-17-19-14-9-13(18)10(2)8-15(14)22-17/h4-9H,3H2,1-2H3,(H,19,20,21).
What are the key properties of N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-4-ethylbenzamide?
N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-4-ethylbenzamide has a molecular weight of 330.84 g/mol, XLogP of 5.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-4-ethylbenzamide is sourced from PubChem (CID 17100920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).