1-(4-ethoxyphenyl)-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide

C19H20N2O3S — CID 166221855

IUPAC1-(4-ethoxyphenyl)-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide
SMILESCCOc1ccc(C2(C(=O)Nc3nc4c(s3)C(=O)CCC4)CC2)cc1
InChIInChI=1S/C19H20N2O3S/c1-2-24-13-8-6-12(7-9-13)19(10-11-19)17(23)21-18-20-14-4-3-5-15(22)16(14)25-18/h6-9H,2-5,10-11H2,1H3,(H,20,21,23)
InChIKeyOSTWFWDOSWBRTP-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.73
Rot. Bonds5

About 1-(4-ethoxyphenyl)-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide

1-(4-ethoxyphenyl)-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide (PubChem CID 166221855) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide
PubChem CID166221855
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC Name1-(4-ethoxyphenyl)-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide
SMILESCCOc1ccc(C2(C(=O)Nc3nc4c(s3)C(=O)CCC4)CC2)cc1
InChIInChI=1S/C19H20N2O3S/c1-2-24-13-8-6-12(7-9-13)19(10-11-19)17(23)21-18-20-14-4-3-5-15(22)16(14)25-18/h6-9H,2-5,10-11H2,1H3,(H,20,21,23)
InChIKeyOSTWFWDOSWBRTP-UHFFFAOYSA-N
XLogP3.73
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4-ethoxyphenyl)-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-ethoxyphenoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 3298902
N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-phenylcyclopropane-1-carboxamide
CID 2528625
1-(4-aminophenyl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)cyclopropane-1-carboxamide
CID 115913571
N-(4-ethoxyphenyl)-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 94829289
N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-phenylcyclopentane-1-carboxamide
CID 25239419
1-(4-ethoxyphenyl)cyclobutane-1-carbohydrazide
CID 116844292
(E)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 84559893
3-methyl-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)-5-phenylpentanamide
CID 86885284
3,5-dibromo-4-hydroxy-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)benzamide
CID 75394873
N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-2-(4-methylphenoxy)acetamide
CID 3206740
(3R)-1-(4-ethoxyphenyl)-5-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-3-carboxamide
CID 7264060
N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-3-ethoxybenzamide
CID 3219049

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-ethoxyphenyl)-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide (CID 166221855) is 1-(4-ethoxyphenyl)-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-ethoxyphenyl)-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-ethoxyphenyl)-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide is CCOc1ccc(C2(C(=O)Nc3nc4c(s3)C(=O)CCC4)CC2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide?
The InChIKey is OSTWFWDOSWBRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c1-2-24-13-8-6-12(7-9-13)19(10-11-19)17(23)21-18-20-14-4-3-5-15(22)16(14)25-18/h6-9H,2-5,10-11H2,1H3,(H,20,21,23).
What are the key properties of 1-(4-ethoxyphenyl)-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide?
1-(4-ethoxyphenyl)-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide has a molecular weight of 356.45 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 166221855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).