[4-cyclopropyl-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol

C11H15F3N2OS — CID 63915464

IUPAC[4-cyclopropyl-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol
SMILESCCN(CC(F)(F)F)c1nc(C2CC2)c(CO)s1
InChIInChI=1S/C11H15F3N2OS/c1-2-16(6-11(12,13)14)10-15-9(7-3-4-7)8(5-17)18-10/h7,17H,2-6H2,1H3
InChIKeyUSJXHRHRHFQTQS-UHFFFAOYSA-N
MW280.31 g/mol
LogP2.90
Rot. Bonds5

About [4-cyclopropyl-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol

[4-cyclopropyl-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol (PubChem CID 63915464) has the molecular formula C11H15F3N2OS and a molecular weight of 280.31 g/mol. Its IUPAC name is [4-cyclopropyl-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-cyclopropyl-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol
PubChem CID63915464
Molecular FormulaC11H15F3N2OS
Molecular Weight280.31 g/mol
Exact Mass280.09
IUPAC Name[4-cyclopropyl-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol
SMILESCCN(CC(F)(F)F)c1nc(C2CC2)c(CO)s1
InChIInChI=1S/C11H15F3N2OS/c1-2-16(6-11(12,13)14)10-15-9(7-3-4-7)8(5-17)18-10/h7,17H,2-6H2,1H3
InChIKeyUSJXHRHRHFQTQS-UHFFFAOYSA-N
XLogP2.90
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-cyclopropyl-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol?
The IUPAC name of [4-cyclopropyl-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol (CID 63915464) is [4-cyclopropyl-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [4-cyclopropyl-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [4-cyclopropyl-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol is CCN(CC(F)(F)F)c1nc(C2CC2)c(CO)s1.
What is the InChIKey of [4-cyclopropyl-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol?
The InChIKey is USJXHRHRHFQTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2OS/c1-2-16(6-11(12,13)14)10-15-9(7-3-4-7)8(5-17)18-10/h7,17H,2-6H2,1H3.
What are the key properties of [4-cyclopropyl-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol?
[4-cyclopropyl-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol has a molecular weight of 280.31 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-cyclopropyl-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 63915464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).