3-(6-chloro-1,3-benzothiazol-2-yl)-N,N-dimethylbenzamide

C16H13ClN2OS — CID 39826228

IUPAC3-(6-chloro-1,3-benzothiazol-2-yl)-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(-c2nc3ccc(Cl)cc3s2)c1
InChIInChI=1S/C16H13ClN2OS/c1-19(2)16(20)11-5-3-4-10(8-11)15-18-13-7-6-12(17)9-14(13)21-15/h3-9H,1-2H3
InChIKeyWFGFZHZODGYYLP-UHFFFAOYSA-N
MW316.81 g/mol
LogP4.32
Rot. Bonds2

About 3-(6-chloro-1,3-benzothiazol-2-yl)-N,N-dimethylbenzamide

3-(6-chloro-1,3-benzothiazol-2-yl)-N,N-dimethylbenzamide (PubChem CID 39826228) has the molecular formula C16H13ClN2OS and a molecular weight of 316.81 g/mol. Its IUPAC name is 3-(6-chloro-1,3-benzothiazol-2-yl)-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-(6-chloro-1,3-benzothiazol-2-yl)-N,N-dimethylbenzamide
PubChem CID39826228
Molecular FormulaC16H13ClN2OS
Molecular Weight316.81 g/mol
Exact Mass316.04
IUPAC Name3-(6-chloro-1,3-benzothiazol-2-yl)-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(-c2nc3ccc(Cl)cc3s2)c1
InChIInChI=1S/C16H13ClN2OS/c1-19(2)16(20)11-5-3-4-10(8-11)15-18-13-7-6-12(17)9-14(13)21-15/h3-9H,1-2H3
InChIKeyWFGFZHZODGYYLP-UHFFFAOYSA-N
XLogP4.32
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.81
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(6-chloro-1,3-benzothiazol-2-yl)benzoic acid
CID 79528960
2-(3-bromophenyl)-6-chloro-1,3-benzothiazole
CID 95910629
methyl 3-(6-hydroxy-1,3-benzothiazol-2-yl)benzoate
CID 58138527
4-(6-chloro-1,3-benzothiazol-2-yl)-2-methylaniline
CID 45361803
2-(3-fluorophenyl)-1,3-benzothiazole-6-carbonyl chloride
CID 95930246
3-(3-chloro-5-hydroxyphenyl)-N,N-dimethylbenzamide
CID 53221465
3-(5-chloro-1,3-benzothiazol-2-yl)phenol
CID 43087846
2-[3-[3-(3-chlorophenyl)phenyl]phenyl]-1,3-benzothiazole
CID 169291592
2-[2-[4-[2-(3-chlorophenyl)-2-oxoethyl]phenyl]-1,3-benzothiazol-6-yl]-6-methyl-1,3-benzothiazole-7-sulfonic acid
CID 161285985
2-(3-chloro-4-methylphenyl)-1,3-benzothiazole-6-carboxylic acid
CID 107470328
5-(6-chloro-1,3-benzothiazol-2-yl)-2-methoxyaniline
CID 79527850
3-(6-chloro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 170725745

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-1,3-benzothiazol-2-yl)-N,N-dimethylbenzamide?
The IUPAC name of 3-(6-chloro-1,3-benzothiazol-2-yl)-N,N-dimethylbenzamide (CID 39826228) is 3-(6-chloro-1,3-benzothiazol-2-yl)-N,N-dimethylbenzamide.
What is the SMILES notation for 3-(6-chloro-1,3-benzothiazol-2-yl)-N,N-dimethylbenzamide?
The canonical SMILES for 3-(6-chloro-1,3-benzothiazol-2-yl)-N,N-dimethylbenzamide is CN(C)C(=O)c1cccc(-c2nc3ccc(Cl)cc3s2)c1.
What is the InChIKey of 3-(6-chloro-1,3-benzothiazol-2-yl)-N,N-dimethylbenzamide?
The InChIKey is WFGFZHZODGYYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2OS/c1-19(2)16(20)11-5-3-4-10(8-11)15-18-13-7-6-12(17)9-14(13)21-15/h3-9H,1-2H3.
What are the key properties of 3-(6-chloro-1,3-benzothiazol-2-yl)-N,N-dimethylbenzamide?
3-(6-chloro-1,3-benzothiazol-2-yl)-N,N-dimethylbenzamide has a molecular weight of 316.81 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-1,3-benzothiazol-2-yl)-N,N-dimethylbenzamide is sourced from PubChem (CID 39826228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).