5-chloro-N-[3-(2-ethoxyethyl)-4-methyl-1,3-benzothiazol-2-ylidene]thiophene-2-carboxamide

C17H17ClN2O2S2 — CID 41202731

IUPAC5-chloro-N-[3-(2-ethoxyethyl)-4-methyl-1,3-benzothiazol-2-ylidene]thiophene-2-carboxamide
SMILESCCOCCn1/c(=N/C(=O)c2ccc(Cl)s2)sc2cccc(C)c21
InChIInChI=1S/C17H17ClN2O2S2/c1-3-22-10-9-20-15-11(2)5-4-6-12(15)24-17(20)19-16(21)13-7-8-14(18)23-13/h4-8H,3,9-10H2,1-2H3/b19-17-
InChIKeyWOTXADXNIIUIGI-ZPHPHTNESA-N
MW380.92 g/mol
LogP4.50
Rot. Bonds5

About 5-chloro-N-[3-(2-ethoxyethyl)-4-methyl-1,3-benzothiazol-2-ylidene]thiophene-2-carboxamide

5-chloro-N-[3-(2-ethoxyethyl)-4-methyl-1,3-benzothiazol-2-ylidene]thiophene-2-carboxamide (PubChem CID 41202731) has the molecular formula C17H17ClN2O2S2 and a molecular weight of 380.92 g/mol. Its IUPAC name is 5-chloro-N-[3-(2-ethoxyethyl)-4-methyl-1,3-benzothiazol-2-ylidene]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[3-(2-ethoxyethyl)-4-methyl-1,3-benzothiazol-2-ylidene]thiophene-2-carboxamide
PubChem CID41202731
Molecular FormulaC17H17ClN2O2S2
Molecular Weight380.92 g/mol
Exact Mass380.04
IUPAC Name5-chloro-N-[3-(2-ethoxyethyl)-4-methyl-1,3-benzothiazol-2-ylidene]thiophene-2-carboxamide
SMILESCCOCCn1/c(=N/C(=O)c2ccc(Cl)s2)sc2cccc(C)c21
InChIInChI=1S/C17H17ClN2O2S2/c1-3-22-10-9-20-15-11(2)5-4-6-12(15)24-17(20)19-16(21)13-7-8-14(18)23-13/h4-8H,3,9-10H2,1-2H3/b19-17-
InChIKeyWOTXADXNIIUIGI-ZPHPHTNESA-N
XLogP4.50
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.92
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-chloro-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-2-methylbenzamide
CID 41203162
N-[3-(2-ethoxyethyl)-4-methyl-1,3-benzothiazol-2-ylidene]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 7153292
N-[4-chloro-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-4-methylbenzamide
CID 41202322
N-[3-(2-ethoxyethyl)-4-methyl-1,3-benzothiazol-2-ylidene]-2-phenoxyacetamide
CID 7153408
4-(diethylsulfamoyl)-N-[3-(2-ethoxyethyl)-4-methyl-1,3-benzothiazol-2-ylidene]benzamide
CID 41202390
N-[3-(2-ethoxyethyl)-4-methoxy-1,3-benzothiazol-2-ylidene]-2-methylbenzamide
CID 41203157
N-[4-chloro-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-4-ethoxybenzamide
CID 41203222
3,5-dichloro-N-[4-ethoxy-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide
CID 41202522
N-[3-(2-ethoxyethyl)-4-fluoro-1,3-benzothiazol-2-ylidene]-3,4-dimethylbenzamide
CID 4640222
N-[3-(2-ethoxyethyl)-4-methoxy-1,3-benzothiazol-2-ylidene]-4-methylbenzamide
CID 41202319
N-[4-ethoxy-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]propanamide
CID 7153310
N-[3-(2-ethoxyethyl)-4-methoxy-1,3-benzothiazol-2-ylidene]benzamide
CID 7153214

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-(2-ethoxyethyl)-4-methyl-1,3-benzothiazol-2-ylidene]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[3-(2-ethoxyethyl)-4-methyl-1,3-benzothiazol-2-ylidene]thiophene-2-carboxamide (CID 41202731) is 5-chloro-N-[3-(2-ethoxyethyl)-4-methyl-1,3-benzothiazol-2-ylidene]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[3-(2-ethoxyethyl)-4-methyl-1,3-benzothiazol-2-ylidene]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[3-(2-ethoxyethyl)-4-methyl-1,3-benzothiazol-2-ylidene]thiophene-2-carboxamide is CCOCCn1/c(=N/C(=O)c2ccc(Cl)s2)sc2cccc(C)c21.
What is the InChIKey of 5-chloro-N-[3-(2-ethoxyethyl)-4-methyl-1,3-benzothiazol-2-ylidene]thiophene-2-carboxamide?
The InChIKey is WOTXADXNIIUIGI-ZPHPHTNESA-N. The full InChI is InChI=1S/C17H17ClN2O2S2/c1-3-22-10-9-20-15-11(2)5-4-6-12(15)24-17(20)19-16(21)13-7-8-14(18)23-13/h4-8H,3,9-10H2,1-2H3/b19-17-.
What are the key properties of 5-chloro-N-[3-(2-ethoxyethyl)-4-methyl-1,3-benzothiazol-2-ylidene]thiophene-2-carboxamide?
5-chloro-N-[3-(2-ethoxyethyl)-4-methyl-1,3-benzothiazol-2-ylidene]thiophene-2-carboxamide has a molecular weight of 380.92 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-(2-ethoxyethyl)-4-methyl-1,3-benzothiazol-2-ylidene]thiophene-2-carboxamide is sourced from PubChem (CID 41202731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).