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

C13H21F3N2OS — CID 62780851

IUPAC[4-tert-butyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol
SMILESCC(C)N(CC(F)(F)F)c1nc(C(C)(C)C)c(CO)s1
InChIInChI=1S/C13H21F3N2OS/c1-8(2)18(7-13(14,15)16)11-17-10(12(3,4)5)9(6-19)20-11/h8,19H,6-7H2,1-5H3
InChIKeyJCNJWVBODNZXMO-UHFFFAOYSA-N
MW310.39 g/mol
LogP3.71
Rot. Bonds4

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

[4-tert-butyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol (PubChem CID 62780851) has the molecular formula C13H21F3N2OS and a molecular weight of 310.39 g/mol. Its IUPAC name is [4-tert-butyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-tert-butyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol
PubChem CID62780851
Molecular FormulaC13H21F3N2OS
Molecular Weight310.39 g/mol
Exact Mass310.13
IUPAC Name[4-tert-butyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol
SMILESCC(C)N(CC(F)(F)F)c1nc(C(C)(C)C)c(CO)s1
InChIInChI=1S/C13H21F3N2OS/c1-8(2)18(7-13(14,15)16)11-17-10(12(3,4)5)9(6-19)20-11/h8,19H,6-7H2,1-5H3
InChIKeyJCNJWVBODNZXMO-UHFFFAOYSA-N
XLogP3.71
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 53.71
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-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol?
The IUPAC name of [4-tert-butyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol (CID 62780851) is [4-tert-butyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [4-tert-butyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [4-tert-butyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol is CC(C)N(CC(F)(F)F)c1nc(C(C)(C)C)c(CO)s1.
What is the InChIKey of [4-tert-butyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol?
The InChIKey is JCNJWVBODNZXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2OS/c1-8(2)18(7-13(14,15)16)11-17-10(12(3,4)5)9(6-19)20-11/h8,19H,6-7H2,1-5H3.
What are the key properties of [4-tert-butyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol?
[4-tert-butyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol has a molecular weight of 310.39 g/mol, XLogP of 3.71, 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-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 62780851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).