N-[[2-(3,3-difluorocyclohexyl)-1,3-thiazol-5-yl]methyl]propan-2-amine

C13H20F2N2S — CID 114216378

IUPACN-[[2-(3,3-difluorocyclohexyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cnc(C2CCCC(F)(F)C2)s1
InChIInChI=1S/C13H20F2N2S/c1-9(2)16-7-11-8-17-12(18-11)10-4-3-5-13(14,15)6-10/h8-10,16H,3-7H2,1-2H3
InChIKeyIWDFIUDRMLWFID-UHFFFAOYSA-N
MW274.38 g/mol
LogP3.93
Rot. Bonds4

About N-[[2-(3,3-difluorocyclohexyl)-1,3-thiazol-5-yl]methyl]propan-2-amine

N-[[2-(3,3-difluorocyclohexyl)-1,3-thiazol-5-yl]methyl]propan-2-amine (PubChem CID 114216378) has the molecular formula C13H20F2N2S and a molecular weight of 274.38 g/mol. Its IUPAC name is N-[[2-(3,3-difluorocyclohexyl)-1,3-thiazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(3,3-difluorocyclohexyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
PubChem CID114216378
Molecular FormulaC13H20F2N2S
Molecular Weight274.38 g/mol
Exact Mass274.13
IUPAC NameN-[[2-(3,3-difluorocyclohexyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cnc(C2CCCC(F)(F)C2)s1
InChIInChI=1S/C13H20F2N2S/c1-9(2)16-7-11-8-17-12(18-11)10-4-3-5-13(14,15)6-10/h8-10,16H,3-7H2,1-2H3
InChIKeyIWDFIUDRMLWFID-UHFFFAOYSA-N
XLogP3.93
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.38
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[2-(3,3-difluorocyclohexyl)-1,3-thiazol-5-yl]methyl]propan-2-amine 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-[[2-(3,3-difluorocyclohexyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(3,3-difluorocyclohexyl)-1,3-thiazol-5-yl]methyl]propan-2-amine (CID 114216378) is N-[[2-(3,3-difluorocyclohexyl)-1,3-thiazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(3,3-difluorocyclohexyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(3,3-difluorocyclohexyl)-1,3-thiazol-5-yl]methyl]propan-2-amine is CC(C)NCc1cnc(C2CCCC(F)(F)C2)s1.
What is the InChIKey of N-[[2-(3,3-difluorocyclohexyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The InChIKey is IWDFIUDRMLWFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N2S/c1-9(2)16-7-11-8-17-12(18-11)10-4-3-5-13(14,15)6-10/h8-10,16H,3-7H2,1-2H3.
What are the key properties of N-[[2-(3,3-difluorocyclohexyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
N-[[2-(3,3-difluorocyclohexyl)-1,3-thiazol-5-yl]methyl]propan-2-amine has a molecular weight of 274.38 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,3-difluorocyclohexyl)-1,3-thiazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 114216378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).