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

C14H21F3N2S — CID 106782322

IUPAC5-methyl-2-propan-2-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine
SMILESCC1CCC(C(C)C)C(N)(c2cnc(C(F)(F)F)s2)C1
InChIInChI=1S/C14H21F3N2S/c1-8(2)10-5-4-9(3)6-13(10,18)11-7-19-12(20-11)14(15,16)17/h7-10H,4-6,18H2,1-3H3
InChIKeyROPRZAVUYJOGDC-UHFFFAOYSA-N
MW306.40 g/mol
LogP4.41
Rot. Bonds2

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

5-methyl-2-propan-2-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine (PubChem CID 106782322) has the molecular formula C14H21F3N2S and a molecular weight of 306.40 g/mol. Its IUPAC name is 5-methyl-2-propan-2-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name5-methyl-2-propan-2-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine
PubChem CID106782322
Molecular FormulaC14H21F3N2S
Molecular Weight306.40 g/mol
Exact Mass306.14
IUPAC Name5-methyl-2-propan-2-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine
SMILESCC1CCC(C(C)C)C(N)(c2cnc(C(F)(F)F)s2)C1
InChIInChI=1S/C14H21F3N2S/c1-8(2)10-5-4-9(3)6-13(10,18)11-7-19-12(20-11)14(15,16)17/h7-10H,4-6,18H2,1-3H3
InChIKeyROPRZAVUYJOGDC-UHFFFAOYSA-N
XLogP4.41
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-propan-2-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine?
The IUPAC name of 5-methyl-2-propan-2-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine (CID 106782322) is 5-methyl-2-propan-2-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine.
What is the SMILES notation for 5-methyl-2-propan-2-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine?
The canonical SMILES for 5-methyl-2-propan-2-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine is CC1CCC(C(C)C)C(N)(c2cnc(C(F)(F)F)s2)C1.
What is the InChIKey of 5-methyl-2-propan-2-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine?
The InChIKey is ROPRZAVUYJOGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2S/c1-8(2)10-5-4-9(3)6-13(10,18)11-7-19-12(20-11)14(15,16)17/h7-10H,4-6,18H2,1-3H3.
What are the key properties of 5-methyl-2-propan-2-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine?
5-methyl-2-propan-2-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine has a molecular weight of 306.40 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-propan-2-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine is sourced from PubChem (CID 106782322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).