4-chloro-N-(6-methyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide

C18H17ClN2OS — CID 43983945

IUPAC4-chloro-N-(6-methyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCCCn1/c(=N/C(=O)c2ccc(Cl)cc2)sc2cc(C)ccc21
InChIInChI=1S/C18H17ClN2OS/c1-3-10-21-15-9-4-12(2)11-16(15)23-18(21)20-17(22)13-5-7-14(19)8-6-13/h4-9,11H,3,10H2,1-2H3/b20-18-
InChIKeyDMUVIIDNZZUKAO-ZZEZOPTASA-N
MW344.87 g/mol
LogP4.82
Rot. Bonds3

About 4-chloro-N-(6-methyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide

4-chloro-N-(6-methyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide (PubChem CID 43983945) has the molecular formula C18H17ClN2OS and a molecular weight of 344.87 g/mol. Its IUPAC name is 4-chloro-N-(6-methyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide.

Molecular Properties

Compound Name4-chloro-N-(6-methyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
PubChem CID43983945
Molecular FormulaC18H17ClN2OS
Molecular Weight344.87 g/mol
Exact Mass344.08
IUPAC Name4-chloro-N-(6-methyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCCCn1/c(=N/C(=O)c2ccc(Cl)cc2)sc2cc(C)ccc21
InChIInChI=1S/C18H17ClN2OS/c1-3-10-21-15-9-4-12(2)11-16(15)23-18(21)20-17(22)13-5-7-14(19)8-6-13/h4-9,11H,3,10H2,1-2H3/b20-18-
InChIKeyDMUVIIDNZZUKAO-ZZEZOPTASA-N
XLogP4.82
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.87
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-(6-methyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43983952
4-methoxy-N-(6-methyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43983958
2,5-dichloro-N-(6-methyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43983980
N-(6-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-3,4-dimethylbenzamide
CID 43984617
5-chloro-N-(6-methyl-3-propyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide
CID 43983974
N-(6-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-4-phenoxybenzamide
CID 43984663
4-bromo-N-(6-bromo-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43984720
4-acetyl-N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43984091
methyl 2-(4-chlorobenzoyl)imino-3-ethyl-1,3-benzothiazole-6-carboxylate
CID 4131727
N-(6-methyl-3-propyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide
CID 7540565
4-acetyl-N-[3-(2-ethoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]benzamide
CID 4142606
4-acetyl-N-(6-propan-2-yl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43984224

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(6-methyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide?
The IUPAC name of 4-chloro-N-(6-methyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide (CID 43983945) is 4-chloro-N-(6-methyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide.
What is the SMILES notation for 4-chloro-N-(6-methyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide?
The canonical SMILES for 4-chloro-N-(6-methyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide is CCCn1/c(=N/C(=O)c2ccc(Cl)cc2)sc2cc(C)ccc21.
What is the InChIKey of 4-chloro-N-(6-methyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide?
The InChIKey is DMUVIIDNZZUKAO-ZZEZOPTASA-N. The full InChI is InChI=1S/C18H17ClN2OS/c1-3-10-21-15-9-4-12(2)11-16(15)23-18(21)20-17(22)13-5-7-14(19)8-6-13/h4-9,11H,3,10H2,1-2H3/b20-18-.
What are the key properties of 4-chloro-N-(6-methyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide?
4-chloro-N-(6-methyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide has a molecular weight of 344.87 g/mol, XLogP of 4.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(6-methyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide is sourced from PubChem (CID 43983945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).