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

C18H23F3N2OS — CID 55771100

IUPACN-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESC=CCN(C(=O)C1CCCC(C(F)(F)F)C1)c1nc2c(s1)CCCC2
InChIInChI=1S/C18H23F3N2OS/c1-2-10-23(17-22-14-8-3-4-9-15(14)25-17)16(24)12-6-5-7-13(11-12)18(19,20)21/h2,12-13H,1,3-11H2
InChIKeyGRRQWIWRXWSTQZ-UHFFFAOYSA-N
MW372.46 g/mol
LogP4.91
Rot. Bonds4

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

N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 55771100) has the molecular formula C18H23F3N2OS and a molecular weight of 372.46 g/mol. Its IUPAC name is N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID55771100
Molecular FormulaC18H23F3N2OS
Molecular Weight372.46 g/mol
Exact Mass372.15
IUPAC NameN-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESC=CCN(C(=O)C1CCCC(C(F)(F)F)C1)c1nc2c(s1)CCCC2
InChIInChI=1S/C18H23F3N2OS/c1-2-10-23(17-22-14-8-3-4-9-15(14)25-17)16(24)12-6-5-7-13(11-12)18(19,20)21/h2,12-13H,1,3-11H2
InChIKeyGRRQWIWRXWSTQZ-UHFFFAOYSA-N
XLogP4.91
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.46
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)cyclohexane-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

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide (CID 55771100) is N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide is C=CCN(C(=O)C1CCCC(C(F)(F)F)C1)c1nc2c(s1)CCCC2.
What is the InChIKey of N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is GRRQWIWRXWSTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N2OS/c1-2-10-23(17-22-14-8-3-4-9-15(14)25-17)16(24)12-6-5-7-13(11-12)18(19,20)21/h2,12-13H,1,3-11H2.
What are the key properties of N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 372.46 g/mol, XLogP of 4.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 55771100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).