(4-propan-2-yl-1,3-thiazol-2-yl)-[4-(trifluoromethoxy)phenyl]methanamine

C14H15F3N2OS — CID 61330086

IUPAC(4-propan-2-yl-1,3-thiazol-2-yl)-[4-(trifluoromethoxy)phenyl]methanamine
SMILESCC(C)c1csc(C(N)c2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C14H15F3N2OS/c1-8(2)11-7-21-13(19-11)12(18)9-3-5-10(6-4-9)20-14(15,16)17/h3-8,12H,18H2,1-2H3
InChIKeyKJRQJVKZAYYDON-UHFFFAOYSA-N
MW316.35 g/mol
LogP4.21
Rot. Bonds4

About (4-propan-2-yl-1,3-thiazol-2-yl)-[4-(trifluoromethoxy)phenyl]methanamine

(4-propan-2-yl-1,3-thiazol-2-yl)-[4-(trifluoromethoxy)phenyl]methanamine (PubChem CID 61330086) has the molecular formula C14H15F3N2OS and a molecular weight of 316.35 g/mol. Its IUPAC name is (4-propan-2-yl-1,3-thiazol-2-yl)-[4-(trifluoromethoxy)phenyl]methanamine.

Molecular Properties

Compound Name(4-propan-2-yl-1,3-thiazol-2-yl)-[4-(trifluoromethoxy)phenyl]methanamine
PubChem CID61330086
Molecular FormulaC14H15F3N2OS
Molecular Weight316.35 g/mol
Exact Mass316.09
IUPAC Name(4-propan-2-yl-1,3-thiazol-2-yl)-[4-(trifluoromethoxy)phenyl]methanamine
SMILESCC(C)c1csc(C(N)c2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C14H15F3N2OS/c1-8(2)11-7-21-13(19-11)12(18)9-3-5-10(6-4-9)20-14(15,16)17/h3-8,12H,18H2,1-2H3
InChIKeyKJRQJVKZAYYDON-UHFFFAOYSA-N
XLogP4.21
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-propan-2-yl-1,3-thiazol-2-yl)-[4-(trifluoromethoxy)phenyl]methanamine?
The IUPAC name of (4-propan-2-yl-1,3-thiazol-2-yl)-[4-(trifluoromethoxy)phenyl]methanamine (CID 61330086) is (4-propan-2-yl-1,3-thiazol-2-yl)-[4-(trifluoromethoxy)phenyl]methanamine.
What is the SMILES notation for (4-propan-2-yl-1,3-thiazol-2-yl)-[4-(trifluoromethoxy)phenyl]methanamine?
The canonical SMILES for (4-propan-2-yl-1,3-thiazol-2-yl)-[4-(trifluoromethoxy)phenyl]methanamine is CC(C)c1csc(C(N)c2ccc(OC(F)(F)F)cc2)n1.
What is the InChIKey of (4-propan-2-yl-1,3-thiazol-2-yl)-[4-(trifluoromethoxy)phenyl]methanamine?
The InChIKey is KJRQJVKZAYYDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2OS/c1-8(2)11-7-21-13(19-11)12(18)9-3-5-10(6-4-9)20-14(15,16)17/h3-8,12H,18H2,1-2H3.
What are the key properties of (4-propan-2-yl-1,3-thiazol-2-yl)-[4-(trifluoromethoxy)phenyl]methanamine?
(4-propan-2-yl-1,3-thiazol-2-yl)-[4-(trifluoromethoxy)phenyl]methanamine has a molecular weight of 316.35 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-yl-1,3-thiazol-2-yl)-[4-(trifluoromethoxy)phenyl]methanamine is sourced from PubChem (CID 61330086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).