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

C16H13ClN2OS — CID 59141837

IUPACN-(4-chloro-1,2-benzothiazol-3-yl)-N-ethylbenzamide
SMILESCCN(C(=O)c1ccccc1)c1nsc2cccc(Cl)c12
InChIInChI=1S/C16H13ClN2OS/c1-2-19(16(20)11-7-4-3-5-8-11)15-14-12(17)9-6-10-13(14)21-18-15/h3-10H,2H2,1H3
InChIKeyMKSZXXPTKONNBR-UHFFFAOYSA-N
MW316.81 g/mol
LogP4.62
Rot. Bonds3

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

N-(4-chloro-1,2-benzothiazol-3-yl)-N-ethylbenzamide (PubChem CID 59141837) has the molecular formula C16H13ClN2OS and a molecular weight of 316.81 g/mol. Its IUPAC name is N-(4-chloro-1,2-benzothiazol-3-yl)-N-ethylbenzamide.

Molecular Properties

Compound NameN-(4-chloro-1,2-benzothiazol-3-yl)-N-ethylbenzamide
PubChem CID59141837
Molecular FormulaC16H13ClN2OS
Molecular Weight316.81 g/mol
Exact Mass316.04
IUPAC NameN-(4-chloro-1,2-benzothiazol-3-yl)-N-ethylbenzamide
SMILESCCN(C(=O)c1ccccc1)c1nsc2cccc(Cl)c12
InChIInChI=1S/C16H13ClN2OS/c1-2-19(16(20)11-7-4-3-5-8-11)15-14-12(17)9-6-10-13(14)21-18-15/h3-10H,2H2,1H3
InChIKeyMKSZXXPTKONNBR-UHFFFAOYSA-N
XLogP4.62
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.81
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-1,2-benzothiazol-3-yl)-N-ethylbenzamide?
The IUPAC name of N-(4-chloro-1,2-benzothiazol-3-yl)-N-ethylbenzamide (CID 59141837) is N-(4-chloro-1,2-benzothiazol-3-yl)-N-ethylbenzamide.
What is the SMILES notation for N-(4-chloro-1,2-benzothiazol-3-yl)-N-ethylbenzamide?
The canonical SMILES for N-(4-chloro-1,2-benzothiazol-3-yl)-N-ethylbenzamide is CCN(C(=O)c1ccccc1)c1nsc2cccc(Cl)c12.
What is the InChIKey of N-(4-chloro-1,2-benzothiazol-3-yl)-N-ethylbenzamide?
The InChIKey is MKSZXXPTKONNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2OS/c1-2-19(16(20)11-7-4-3-5-8-11)15-14-12(17)9-6-10-13(14)21-18-15/h3-10H,2H2,1H3.
What are the key properties of N-(4-chloro-1,2-benzothiazol-3-yl)-N-ethylbenzamide?
N-(4-chloro-1,2-benzothiazol-3-yl)-N-ethylbenzamide has a molecular weight of 316.81 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-1,2-benzothiazol-3-yl)-N-ethylbenzamide is sourced from PubChem (CID 59141837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).