2-chloro-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide

C10H9ClN2OS — CID 3685735

IUPAC2-chloro-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide
SMILESCn1/c(=N/C(=O)CCl)sc2ccccc21
InChIInChI=1S/C10H9ClN2OS/c1-13-7-4-2-3-5-8(7)15-10(13)12-9(14)6-11/h2-5H,6H2,1H3/b12-10-
InChIKeyOSJWKPHEUAQQKR-BENRWUELSA-N
MW240.72 g/mol
LogP1.91
Rot. Bonds1

About 2-chloro-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide

2-chloro-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide (PubChem CID 3685735) has the molecular formula C10H9ClN2OS and a molecular weight of 240.72 g/mol. Its IUPAC name is 2-chloro-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide.

Molecular Properties

Compound Name2-chloro-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide
PubChem CID3685735
Molecular FormulaC10H9ClN2OS
Molecular Weight240.72 g/mol
Exact Mass240.01
IUPAC Name2-chloro-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide
SMILESCn1/c(=N/C(=O)CCl)sc2ccccc21
InChIInChI=1S/C10H9ClN2OS/c1-13-7-4-2-3-5-8(7)15-10(13)12-9(14)6-11/h2-5H,6H2,1H3/b12-10-
InChIKeyOSJWKPHEUAQQKR-BENRWUELSA-N
XLogP1.91
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.72
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N'-[(2E)-3-methyl-1,3-benzothiazol-2(3H)-ylidene]acetohydrazide
CID 6089291
(Z)-N-(4-fluoro-3-methylbenzo[d]thiazol-2(3H)-ylidene)pivalamide
CID 2151125
3-Methyl-2-benzothiazolinone hydrazone hydrochloride monohydrate
CID 6364530
N-(3-phenyl-1,3-benzothiazol-2-ylidene)-2-propenamide
CID 830668
(E)-N-(3,6-dimethylbenzo[d]thiazol-2(3H)-ylidene)acetamide
CID 2312317
S-[2-[(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl] ethanethioate
CID 3245907
N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide
CID 656374
N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylpropanamide
CID 2151118
S-[2-[(6-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl] ethanethioate
CID 3490356
N-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)aniline
CID 838370
2-Chloromethyl-9-thia-1,4a-diaza-fluoren-4-one
CID 2111478
(Z)-N-(4-fluoro-3-methylbenzo[d]thiazol-2(3H)-ylidene)cyclopropanecarboxamide
CID 2151111

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide?
The IUPAC name of 2-chloro-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide (CID 3685735) is 2-chloro-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide.
What is the SMILES notation for 2-chloro-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide?
The canonical SMILES for 2-chloro-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide is Cn1/c(=N/C(=O)CCl)sc2ccccc21.
What is the InChIKey of 2-chloro-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide?
The InChIKey is OSJWKPHEUAQQKR-BENRWUELSA-N. The full InChI is InChI=1S/C10H9ClN2OS/c1-13-7-4-2-3-5-8(7)15-10(13)12-9(14)6-11/h2-5H,6H2,1H3/b12-10-.
What are the key properties of 2-chloro-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide?
2-chloro-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide has a molecular weight of 240.72 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide is sourced from PubChem (CID 3685735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).