2-(5-chlorothiophen-2-yl)-N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)acetamide

C15H13ClN2OS2 — CID 41340399

IUPAC2-(5-chlorothiophen-2-yl)-N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)acetamide
SMILESCc1ccc2c(c1)s/c(=N\C(=O)Cc1ccc(Cl)s1)n2C
InChIInChI=1S/C15H13ClN2OS2/c1-9-3-5-11-12(7-9)21-15(18(11)2)17-14(19)8-10-4-6-13(16)20-10/h3-7H,8H2,1-2H3/b17-15-
InChIKeyGJGGKXJOQYSRDL-ICFOKQHNSA-N
MW336.87 g/mol
LogP3.93
Rot. Bonds2

About 2-(5-chlorothiophen-2-yl)-N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)acetamide

2-(5-chlorothiophen-2-yl)-N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)acetamide (PubChem CID 41340399) has the molecular formula C15H13ClN2OS2 and a molecular weight of 336.87 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)acetamide.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)acetamide
PubChem CID41340399
Molecular FormulaC15H13ClN2OS2
Molecular Weight336.87 g/mol
Exact Mass336.02
IUPAC Name2-(5-chlorothiophen-2-yl)-N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)acetamide
SMILESCc1ccc2c(c1)s/c(=N\C(=O)Cc1ccc(Cl)s1)n2C
InChIInChI=1S/C15H13ClN2OS2/c1-9-3-5-11-12(7-9)21-15(18(11)2)17-14(19)8-10-4-6-13(16)20-10/h3-7H,8H2,1-2H3/b17-15-
InChIKeyGJGGKXJOQYSRDL-ICFOKQHNSA-N
XLogP3.93
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.87
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-chlorothiophen-2-yl)-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)acetamide
CID 41340506
2-(2,4-dimethylphenyl)-N-(3-methyl-6-propan-2-yl-1,3-benzothiazol-2-ylidene)acetamide
CID 41019358
N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide
CID 5121652
N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-3-(4-methylphenyl)sulfanylpropanamide
CID 40951723
methyl 2-[2-(5-chlorothiophen-2-yl)acetyl]imino-3-(2-methoxy-2-oxoethyl)-1,3-benzothiazole-6-carboxylate
CID 41340699
5-chloro-N-(6-methyl-3-propyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide
CID 43983974
methyl 2-[2-[2-(5-chlorothiophen-2-yl)acetyl]imino-6-methylsulfanyl-1,3-benzothiazol-3-yl]acetate
CID 41340870
N-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-2-(4-methylphenyl)sulfonylacetamide
CID 7519784
N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenylacetamide
CID 40694545
methyl 2-[2-[2-(5-chlorothiophen-2-yl)acetyl]imino-5,7-dimethyl-1,3-benzothiazol-3-yl]acetate
CID 41340651
2-(4-chlorophenyl)-N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]acetamide
CID 16912282
N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)cyclohexanecarboxamide
CID 4671206

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)acetamide?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)acetamide (CID 41340399) is 2-(5-chlorothiophen-2-yl)-N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)acetamide.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)acetamide?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)acetamide is Cc1ccc2c(c1)s/c(=N\C(=O)Cc1ccc(Cl)s1)n2C.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)acetamide?
The InChIKey is GJGGKXJOQYSRDL-ICFOKQHNSA-N. The full InChI is InChI=1S/C15H13ClN2OS2/c1-9-3-5-11-12(7-9)21-15(18(11)2)17-14(19)8-10-4-6-13(16)20-10/h3-7H,8H2,1-2H3/b17-15-.
What are the key properties of 2-(5-chlorothiophen-2-yl)-N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)acetamide?
2-(5-chlorothiophen-2-yl)-N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)acetamide has a molecular weight of 336.87 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)acetamide is sourced from PubChem (CID 41340399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).