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

C10H13F3N2S — CID 112562131

IUPAC4-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazol-2-amine
SMILESNc1nc(C2CCC(C(F)(F)F)CC2)cs1
InChIInChI=1S/C10H13F3N2S/c11-10(12,13)7-3-1-6(2-4-7)8-5-16-9(14)15-8/h5-7H,1-4H2,(H2,14,15)
InChIKeyJMGGKSKMEIHRJU-UHFFFAOYSA-N
MW250.29 g/mol
LogP3.56
Rot. Bonds1

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

4-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazol-2-amine (PubChem CID 112562131) has the molecular formula C10H13F3N2S and a molecular weight of 250.29 g/mol. Its IUPAC name is 4-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazol-2-amine
PubChem CID112562131
Molecular FormulaC10H13F3N2S
Molecular Weight250.29 g/mol
Exact Mass250.08
IUPAC Name4-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazol-2-amine
SMILESNc1nc(C2CCC(C(F)(F)F)CC2)cs1
InChIInChI=1S/C10H13F3N2S/c11-10(12,13)7-3-1-6(2-4-7)8-5-16-9(14)15-8/h5-7H,1-4H2,(H2,14,15)
InChIKeyJMGGKSKMEIHRJU-UHFFFAOYSA-N
XLogP3.56
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 ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Cyclohexyl-1,3-thiazol-2-amine
CID 346930
4-(1-Adamantyl)-1,3-thiazol-2-amine
CID 616434
4-Adamantan-1-ylmethyl-thiazol-2-ylamine
CID 2836061
4-Cyclobutyl-1,3-thiazol-2-amine
CID 22063634
4-Tricyclo[4.3.1.1*3,8*]undec-1-yl-thiazol-2-ylamine
CID 4137288
4-Heptyl-1,3-thiazol-2-amine
CID 24973504
4-(Bicyclo(2.2.1)heptan-2-yl)-1,3-thiazol-2-amine
CID 72474002
4-(4,4-Dimethylcyclohexyl)-1,3-thiazol-2-amine hydrochloride
CID 145867409
4-(2,2-Difluorocyclopropyl)-1,3-thiazol-2-amine
CID 165692054
4-Octyl-1,3-thiazol-2-amine
CID 10856807
4-Hexyl-1,3-thiazol-2-amine
CID 13934262
2-[4-(4,4-Difluorocyclohexyl)-1,3-thiazol-2-yl]guanidine
CID 136536293

Frequently Asked Questions

What is the IUPAC name of 4-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazol-2-amine (CID 112562131) is 4-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazol-2-amine is Nc1nc(C2CCC(C(F)(F)F)CC2)cs1.
What is the InChIKey of 4-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazol-2-amine?
The InChIKey is JMGGKSKMEIHRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2S/c11-10(12,13)7-3-1-6(2-4-7)8-5-16-9(14)15-8/h5-7H,1-4H2,(H2,14,15).
What are the key properties of 4-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazol-2-amine?
4-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazol-2-amine has a molecular weight of 250.29 g/mol, XLogP of 3.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 112562131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).