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

C13H19F3N2OS — CID 62778661

IUPAC[4-tert-butyl-2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol
SMILESCC(C)(C)c1nc(N(CC(F)(F)F)C2CC2)sc1CO
InChIInChI=1S/C13H19F3N2OS/c1-12(2,3)10-9(6-19)20-11(17-10)18(8-4-5-8)7-13(14,15)16/h8,19H,4-7H2,1-3H3
InChIKeyCPWVFVSWCFQEES-UHFFFAOYSA-N
MW308.37 g/mol
LogP3.46
Rot. Bonds4

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

[4-tert-butyl-2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol (PubChem CID 62778661) has the molecular formula C13H19F3N2OS and a molecular weight of 308.37 g/mol. Its IUPAC name is [4-tert-butyl-2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-tert-butyl-2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol
PubChem CID62778661
Molecular FormulaC13H19F3N2OS
Molecular Weight308.37 g/mol
Exact Mass308.12
IUPAC Name[4-tert-butyl-2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol
SMILESCC(C)(C)c1nc(N(CC(F)(F)F)C2CC2)sc1CO
InChIInChI=1S/C13H19F3N2OS/c1-12(2,3)10-9(6-19)20-11(17-10)18(8-4-5-8)7-13(14,15)16/h8,19H,4-7H2,1-3H3
InChIKeyCPWVFVSWCFQEES-UHFFFAOYSA-N
XLogP3.46
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-tert-butyl-2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol?
The IUPAC name of [4-tert-butyl-2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol (CID 62778661) is [4-tert-butyl-2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [4-tert-butyl-2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [4-tert-butyl-2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol is CC(C)(C)c1nc(N(CC(F)(F)F)C2CC2)sc1CO.
What is the InChIKey of [4-tert-butyl-2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol?
The InChIKey is CPWVFVSWCFQEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2OS/c1-12(2,3)10-9(6-19)20-11(17-10)18(8-4-5-8)7-13(14,15)16/h8,19H,4-7H2,1-3H3.
What are the key properties of [4-tert-butyl-2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol?
[4-tert-butyl-2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol has a molecular weight of 308.37 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-tert-butyl-2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 62778661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).