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

C10H13F3N2S — CID 64754911

IUPAC1-(1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESNC1(c2nccs2)CCC(C(F)(F)F)CC1
InChIInChI=1S/C10H13F3N2S/c11-10(12,13)7-1-3-9(14,4-2-7)8-15-5-6-16-8/h5-7H,1-4,14H2
InChIKeyCAYVQKOMXZCLMY-UHFFFAOYSA-N
MW250.29 g/mol
LogP3.05
Rot. Bonds1

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

1-(1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64754911) has the molecular formula C10H13F3N2S and a molecular weight of 250.29 g/mol. Its IUPAC name is 1-(1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64754911
Molecular FormulaC10H13F3N2S
Molecular Weight250.29 g/mol
Exact Mass250.08
IUPAC Name1-(1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESNC1(c2nccs2)CCC(C(F)(F)F)CC1
InChIInChI=1S/C10H13F3N2S/c11-10(12,13)7-1-3-9(14,4-2-7)8-15-5-6-16-8/h5-7H,1-4,14H2
InChIKeyCAYVQKOMXZCLMY-UHFFFAOYSA-N
XLogP3.05
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 ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of 1-(1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine (CID 64754911) is 1-(1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine is NC1(c2nccs2)CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-(1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is CAYVQKOMXZCLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2S/c11-10(12,13)7-1-3-9(14,4-2-7)8-15-5-6-16-8/h5-7H,1-4,14H2.
What are the key properties of 1-(1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine?
1-(1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 250.29 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64754911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).