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

C10H13F3N2S — CID 61338817

IUPAC1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclohexan-1-amine
SMILESNC1(c2nc(C(F)(F)F)cs2)CCCCC1
InChIInChI=1S/C10H13F3N2S/c11-10(12,13)7-6-16-8(15-7)9(14)4-2-1-3-5-9/h6H,1-5,14H2
InChIKeyUYSURUXPEONMHR-UHFFFAOYSA-N
MW250.29 g/mol
LogP3.28
Rot. Bonds1

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

1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclohexan-1-amine (PubChem CID 61338817) has the molecular formula C10H13F3N2S and a molecular weight of 250.29 g/mol. Its IUPAC name is 1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclohexan-1-amine
PubChem CID61338817
Molecular FormulaC10H13F3N2S
Molecular Weight250.29 g/mol
Exact Mass250.08
IUPAC Name1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclohexan-1-amine
SMILESNC1(c2nc(C(F)(F)F)cs2)CCCCC1
InChIInChI=1S/C10H13F3N2S/c11-10(12,13)7-6-16-8(15-7)9(14)4-2-1-3-5-9/h6H,1-5,14H2
InChIKeyUYSURUXPEONMHR-UHFFFAOYSA-N
XLogP3.28
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclohexan-1-amine?
The IUPAC name of 1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclohexan-1-amine (CID 61338817) is 1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclohexan-1-amine.
What is the SMILES notation for 1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclohexan-1-amine?
The canonical SMILES for 1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclohexan-1-amine is NC1(c2nc(C(F)(F)F)cs2)CCCCC1.
What is the InChIKey of 1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclohexan-1-amine?
The InChIKey is UYSURUXPEONMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2S/c11-10(12,13)7-6-16-8(15-7)9(14)4-2-1-3-5-9/h6H,1-5,14H2.
What are the key properties of 1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclohexan-1-amine?
1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclohexan-1-amine has a molecular weight of 250.29 g/mol, XLogP of 3.28, 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]cyclohexan-1-amine is sourced from PubChem (CID 61338817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).