1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cycloheptan-1-amine

C11H15F3N2S — CID 61336520

IUPAC1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cycloheptan-1-amine
SMILESNC1(c2nc(C(F)(F)F)cs2)CCCCCC1
InChIInChI=1S/C11H15F3N2S/c12-11(13,14)8-7-17-9(16-8)10(15)5-3-1-2-4-6-10/h7H,1-6,15H2
InChIKeyCYTWBHAVCPNQAF-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.67
Rot. Bonds1

About 1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cycloheptan-1-amine

1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cycloheptan-1-amine (PubChem CID 61336520) has the molecular formula C11H15F3N2S and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cycloheptan-1-amine.

Molecular Properties

Compound Name1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cycloheptan-1-amine
PubChem CID61336520
Molecular FormulaC11H15F3N2S
Molecular Weight264.32 g/mol
Exact Mass264.09
IUPAC Name1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cycloheptan-1-amine
SMILESNC1(c2nc(C(F)(F)F)cs2)CCCCCC1
InChIInChI=1S/C11H15F3N2S/c12-11(13,14)8-7-17-9(16-8)10(15)5-3-1-2-4-6-10/h7H,1-6,15H2
InChIKeyCYTWBHAVCPNQAF-UHFFFAOYSA-N
XLogP3.67
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cycloheptan-1-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 1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cycloheptan-1-amine?
The IUPAC name of 1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cycloheptan-1-amine (CID 61336520) is 1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cycloheptan-1-amine.
What is the SMILES notation for 1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cycloheptan-1-amine?
The canonical SMILES for 1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cycloheptan-1-amine is NC1(c2nc(C(F)(F)F)cs2)CCCCCC1.
What is the InChIKey of 1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cycloheptan-1-amine?
The InChIKey is CYTWBHAVCPNQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2S/c12-11(13,14)8-7-17-9(16-8)10(15)5-3-1-2-4-6-10/h7H,1-6,15H2.
What are the key properties of 1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cycloheptan-1-amine?
1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cycloheptan-1-amine has a molecular weight of 264.32 g/mol, XLogP of 3.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cycloheptan-1-amine is sourced from PubChem (CID 61336520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).