3,3,5,5-tetramethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine

C14H21F3N2S — CID 106782401

IUPAC3,3,5,5-tetramethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine
SMILESCC1(C)CC(C)(C)CC(N)(c2cnc(C(F)(F)F)s2)C1
InChIInChI=1S/C14H21F3N2S/c1-11(2)6-12(3,4)8-13(18,7-11)9-5-19-10(20-9)14(15,16)17/h5H,6-8,18H2,1-4H3
InChIKeyCEVFTWBLXAAMKV-UHFFFAOYSA-N
MW306.40 g/mol
LogP4.55
Rot. Bonds1

About 3,3,5,5-tetramethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine

3,3,5,5-tetramethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine (PubChem CID 106782401) has the molecular formula C14H21F3N2S and a molecular weight of 306.40 g/mol. Its IUPAC name is 3,3,5,5-tetramethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name3,3,5,5-tetramethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine
PubChem CID106782401
Molecular FormulaC14H21F3N2S
Molecular Weight306.40 g/mol
Exact Mass306.14
IUPAC Name3,3,5,5-tetramethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine
SMILESCC1(C)CC(C)(C)CC(N)(c2cnc(C(F)(F)F)s2)C1
InChIInChI=1S/C14H21F3N2S/c1-11(2)6-12(3,4)8-13(18,7-11)9-5-19-10(20-9)14(15,16)17/h5H,6-8,18H2,1-4H3
InChIKeyCEVFTWBLXAAMKV-UHFFFAOYSA-N
XLogP4.55
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3,5,5-tetramethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine?
The IUPAC name of 3,3,5,5-tetramethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine (CID 106782401) is 3,3,5,5-tetramethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine.
What is the SMILES notation for 3,3,5,5-tetramethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine?
The canonical SMILES for 3,3,5,5-tetramethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine is CC1(C)CC(C)(C)CC(N)(c2cnc(C(F)(F)F)s2)C1.
What is the InChIKey of 3,3,5,5-tetramethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine?
The InChIKey is CEVFTWBLXAAMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2S/c1-11(2)6-12(3,4)8-13(18,7-11)9-5-19-10(20-9)14(15,16)17/h5H,6-8,18H2,1-4H3.
What are the key properties of 3,3,5,5-tetramethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine?
3,3,5,5-tetramethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine has a molecular weight of 306.40 g/mol, XLogP of 4.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5,5-tetramethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine is sourced from PubChem (CID 106782401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).