2-(2-chlorophenyl)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide

C20H21ClN2OS — CID 55478460

IUPAC2-(2-chlorophenyl)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide
SMILESC=CCN(C(=O)C1CC1c1ccccc1Cl)c1nc2c(s1)CCCC2
InChIInChI=1S/C20H21ClN2OS/c1-2-11-23(20-22-17-9-5-6-10-18(17)25-20)19(24)15-12-14(15)13-7-3-4-8-16(13)21/h2-4,7-8,14-15H,1,5-6,9-12H2
InChIKeyURJYTYWSBNSWHE-UHFFFAOYSA-N
MW372.92 g/mol
LogP5.00
Rot. Bonds5

About 2-(2-chlorophenyl)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide

2-(2-chlorophenyl)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide (PubChem CID 55478460) has the molecular formula C20H21ClN2OS and a molecular weight of 372.92 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide
PubChem CID55478460
Molecular FormulaC20H21ClN2OS
Molecular Weight372.92 g/mol
Exact Mass372.11
IUPAC Name2-(2-chlorophenyl)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide
SMILESC=CCN(C(=O)C1CC1c1ccccc1Cl)c1nc2c(s1)CCCC2
InChIInChI=1S/C20H21ClN2OS/c1-2-11-23(20-22-17-9-5-6-10-18(17)25-20)19(24)15-12-14(15)13-7-3-4-8-16(13)21/h2-4,7-8,14-15H,1,5-6,9-12H2
InChIKeyURJYTYWSBNSWHE-UHFFFAOYSA-N
XLogP5.00
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.92
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide (CID 55478460) is 2-(2-chlorophenyl)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide is C=CCN(C(=O)C1CC1c1ccccc1Cl)c1nc2c(s1)CCCC2.
What is the InChIKey of 2-(2-chlorophenyl)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide?
The InChIKey is URJYTYWSBNSWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2OS/c1-2-11-23(20-22-17-9-5-6-10-18(17)25-20)19(24)15-12-14(15)13-7-3-4-8-16(13)21/h2-4,7-8,14-15H,1,5-6,9-12H2.
What are the key properties of 2-(2-chlorophenyl)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide?
2-(2-chlorophenyl)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide has a molecular weight of 372.92 g/mol, XLogP of 5.00, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 55478460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).