2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4,4-difluorocyclohexyl)-N-methylethanamine

C16H26F2N2S — CID 105169635

IUPAC2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4,4-difluorocyclohexyl)-N-methylethanamine
SMILESCNC(Cc1nc(C(C)(C)C)cs1)C1CCC(F)(F)CC1
InChIInChI=1S/C16H26F2N2S/c1-15(2,3)13-10-21-14(20-13)9-12(19-4)11-5-7-16(17,18)8-6-11/h10-12,19H,5-9H2,1-4H3
InChIKeyOGHSMXVASCSZSJ-UHFFFAOYSA-N
MW316.46 g/mol
LogP4.40
Rot. Bonds4

About 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4,4-difluorocyclohexyl)-N-methylethanamine

2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4,4-difluorocyclohexyl)-N-methylethanamine (PubChem CID 105169635) has the molecular formula C16H26F2N2S and a molecular weight of 316.46 g/mol. Its IUPAC name is 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4,4-difluorocyclohexyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4,4-difluorocyclohexyl)-N-methylethanamine
PubChem CID105169635
Molecular FormulaC16H26F2N2S
Molecular Weight316.46 g/mol
Exact Mass316.18
IUPAC Name2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4,4-difluorocyclohexyl)-N-methylethanamine
SMILESCNC(Cc1nc(C(C)(C)C)cs1)C1CCC(F)(F)CC1
InChIInChI=1S/C16H26F2N2S/c1-15(2,3)13-10-21-14(20-13)9-12(19-4)11-5-7-16(17,18)8-6-11/h10-12,19H,5-9H2,1-4H3
InChIKeyOGHSMXVASCSZSJ-UHFFFAOYSA-N
XLogP4.40
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.46
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4,4-difluorocyclohexyl)-N-methylethanamine 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 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4,4-difluorocyclohexyl)-N-methylethanamine?
The IUPAC name of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4,4-difluorocyclohexyl)-N-methylethanamine (CID 105169635) is 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4,4-difluorocyclohexyl)-N-methylethanamine.
What is the SMILES notation for 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4,4-difluorocyclohexyl)-N-methylethanamine?
The canonical SMILES for 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4,4-difluorocyclohexyl)-N-methylethanamine is CNC(Cc1nc(C(C)(C)C)cs1)C1CCC(F)(F)CC1.
What is the InChIKey of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4,4-difluorocyclohexyl)-N-methylethanamine?
The InChIKey is OGHSMXVASCSZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26F2N2S/c1-15(2,3)13-10-21-14(20-13)9-12(19-4)11-5-7-16(17,18)8-6-11/h10-12,19H,5-9H2,1-4H3.
What are the key properties of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4,4-difluorocyclohexyl)-N-methylethanamine?
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4,4-difluorocyclohexyl)-N-methylethanamine has a molecular weight of 316.46 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4,4-difluorocyclohexyl)-N-methylethanamine is sourced from PubChem (CID 105169635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).