4-methyl-5-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-1,3-thiazol-2-amine

C14H15F3N2OS — CID 64707912

IUPAC4-methyl-5-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1C(C)c1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C14H15F3N2OS/c1-8(12-9(2)19-13(18)21-12)10-3-5-11(6-4-10)20-7-14(15,16)17/h3-6,8H,7H2,1-2H3,(H2,18,19)
InChIKeyKYIFNGQOBPIQMF-UHFFFAOYSA-N
MW316.35 g/mol
LogP4.13
Rot. Bonds4

About 4-methyl-5-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-1,3-thiazol-2-amine

4-methyl-5-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-1,3-thiazol-2-amine (PubChem CID 64707912) has the molecular formula C14H15F3N2OS and a molecular weight of 316.35 g/mol. Its IUPAC name is 4-methyl-5-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-5-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-1,3-thiazol-2-amine
PubChem CID64707912
Molecular FormulaC14H15F3N2OS
Molecular Weight316.35 g/mol
Exact Mass316.09
IUPAC Name4-methyl-5-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1C(C)c1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C14H15F3N2OS/c1-8(12-9(2)19-13(18)21-12)10-3-5-11(6-4-10)20-7-14(15,16)17/h3-6,8H,7H2,1-2H3,(H2,18,19)
InChIKeyKYIFNGQOBPIQMF-UHFFFAOYSA-N
XLogP4.13
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 ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-5-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-1,3-thiazol-2-amine (CID 64707912) is 4-methyl-5-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-5-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-5-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-1,3-thiazol-2-amine is Cc1nc(N)sc1C(C)c1ccc(OCC(F)(F)F)cc1.
What is the InChIKey of 4-methyl-5-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-1,3-thiazol-2-amine?
The InChIKey is KYIFNGQOBPIQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2OS/c1-8(12-9(2)19-13(18)21-12)10-3-5-11(6-4-10)20-7-14(15,16)17/h3-6,8H,7H2,1-2H3,(H2,18,19).
What are the key properties of 4-methyl-5-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-1,3-thiazol-2-amine?
4-methyl-5-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-1,3-thiazol-2-amine has a molecular weight of 316.35 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 64707912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).