N-(4-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzamide

C18H17ClN2O2S — CID 41149499

IUPACN-(4-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzamide
SMILESCCCn1/c(=N/C(=O)c2ccc(OC)cc2)sc2cccc(Cl)c21
InChIInChI=1S/C18H17ClN2O2S/c1-3-11-21-16-14(19)5-4-6-15(16)24-18(21)20-17(22)12-7-9-13(23-2)10-8-12/h4-10H,3,11H2,1-2H3/b20-18-
InChIKeyYTOXWBRAHIOSJW-ZZEZOPTASA-N
MW360.87 g/mol
LogP4.52
Rot. Bonds4

About N-(4-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzamide

N-(4-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzamide (PubChem CID 41149499) has the molecular formula C18H17ClN2O2S and a molecular weight of 360.87 g/mol. Its IUPAC name is N-(4-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(4-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzamide
PubChem CID41149499
Molecular FormulaC18H17ClN2O2S
Molecular Weight360.87 g/mol
Exact Mass360.07
IUPAC NameN-(4-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzamide
SMILESCCCn1/c(=N/C(=O)c2ccc(OC)cc2)sc2cccc(Cl)c21
InChIInChI=1S/C18H17ClN2O2S/c1-3-11-21-16-14(19)5-4-6-15(16)24-18(21)20-17(22)12-7-9-13(23-2)10-8-12/h4-10H,3,11H2,1-2H3/b20-18-
InChIKeyYTOXWBRAHIOSJW-ZZEZOPTASA-N
XLogP4.52
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.87
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)-3,5-dimethoxybenzamide
CID 2105025
N-(4-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-2-methoxybenzamide
CID 41001431
N-[4-chloro-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-4-ethoxybenzamide
CID 41203222
N-(4-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-3-fluorobenzamide
CID 41149424
N-[4-chloro-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-4-methylbenzamide
CID 41202322
4-methoxy-N-(6-methyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43983958
N-(4-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)-3-methoxybenzamide
CID 41149476
methyl 2-[2-(4-acetylbenzoyl)imino-4-chloro-1,3-benzothiazol-3-yl]acetate
CID 7153650
methyl 4-[(4-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate
CID 2151398
N-(4-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide
CID 41001557
methyl 2-[4-chloro-2-[4-(dimethylamino)benzoyl]imino-1,3-benzothiazol-3-yl]acetate
CID 7153786
methyl 4-[(4-ethoxy-3-propyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate
CID 41001377

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzamide?
The IUPAC name of N-(4-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzamide (CID 41149499) is N-(4-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzamide.
What is the SMILES notation for N-(4-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzamide?
The canonical SMILES for N-(4-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzamide is CCCn1/c(=N/C(=O)c2ccc(OC)cc2)sc2cccc(Cl)c21.
What is the InChIKey of N-(4-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzamide?
The InChIKey is YTOXWBRAHIOSJW-ZZEZOPTASA-N. The full InChI is InChI=1S/C18H17ClN2O2S/c1-3-11-21-16-14(19)5-4-6-15(16)24-18(21)20-17(22)12-7-9-13(23-2)10-8-12/h4-10H,3,11H2,1-2H3/b20-18-.
What are the key properties of N-(4-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzamide?
N-(4-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzamide has a molecular weight of 360.87 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzamide is sourced from PubChem (CID 41149499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).