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

C18H17ClN2O2S — CID 41001557

IUPACN-(4-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide
SMILESCCCn1/c(=N/C(=O)COc2ccccc2)sc2cccc(Cl)c21
InChIInChI=1S/C18H17ClN2O2S/c1-2-11-21-17-14(19)9-6-10-15(17)24-18(21)20-16(22)12-23-13-7-4-3-5-8-13/h3-10H,2,11-12H2,1H3/b20-18-
InChIKeyUGGFHLJQHFYVSI-ZZEZOPTASA-N
MW360.87 g/mol
LogP4.27
Rot. Bonds5

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

N-(4-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide (PubChem CID 41001557) 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)-2-phenoxyacetamide.

Molecular Properties

Compound NameN-(4-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide
PubChem CID41001557
Molecular FormulaC18H17ClN2O2S
Molecular Weight360.87 g/mol
Exact Mass360.07
IUPAC NameN-(4-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide
SMILESCCCn1/c(=N/C(=O)COc2ccccc2)sc2cccc(Cl)c21
InChIInChI=1S/C18H17ClN2O2S/c1-2-11-21-17-14(19)9-6-10-15(17)24-18(21)20-16(22)12-23-13-7-4-3-5-8-13/h3-10H,2,11-12H2,1H3/b20-18-
InChIKeyUGGFHLJQHFYVSI-ZZEZOPTASA-N
XLogP4.27
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.87
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-2-phenylacetamide
CID 41001527
N-[3-(2-ethoxyethyl)-4-methyl-1,3-benzothiazol-2-ylidene]-2-phenoxyacetamide
CID 7153408
methyl 2-[4-chloro-2-[2-(4-chlorophenoxy)acetyl]imino-1,3-benzothiazol-3-yl]acetate
CID 41204794
2-(4-chlorophenoxy)-N-(4-chloro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)acetamide
CID 43943994
N-[4-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-phenoxyacetamide
CID 7153193
N-(4-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzamide
CID 41149499
N-(4-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-2-methoxybenzamide
CID 41001431
N-(4-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide
CID 7152857
N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)-2-phenoxybenzamide
CID 4192621
ethyl 2-[4-fluoro-2-(2-phenoxyacetyl)imino-1,3-benzothiazol-3-yl]acetate
CID 4108067
methyl 2-[4,6-dichloro-2-(2-phenoxyacetyl)imino-1,3-benzothiazol-3-yl]acetate
CID 41205134
N-(4-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-3-fluorobenzamide
CID 41149424

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide?
The IUPAC name of N-(4-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide (CID 41001557) is N-(4-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide.
What is the SMILES notation for N-(4-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide?
The canonical SMILES for N-(4-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide is CCCn1/c(=N/C(=O)COc2ccccc2)sc2cccc(Cl)c21.
What is the InChIKey of N-(4-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide?
The InChIKey is UGGFHLJQHFYVSI-ZZEZOPTASA-N. The full InChI is InChI=1S/C18H17ClN2O2S/c1-2-11-21-17-14(19)9-6-10-15(17)24-18(21)20-16(22)12-23-13-7-4-3-5-8-13/h3-10H,2,11-12H2,1H3/b20-18-.
What are the key properties of N-(4-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide?
N-(4-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide has a molecular weight of 360.87 g/mol, XLogP of 4.27, 5 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)-2-phenoxyacetamide is sourced from PubChem (CID 41001557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).