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

C10H15F3N2OS — CID 55117383

IUPAC[4-methyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol
SMILESCc1nc(N(CC(F)(F)F)C(C)C)sc1CO
InChIInChI=1S/C10H15F3N2OS/c1-6(2)15(5-10(11,12)13)9-14-7(3)8(4-16)17-9/h6,16H,4-5H2,1-3H3
InChIKeyGYJZZIWEMJAQOE-UHFFFAOYSA-N
MW268.30 g/mol
LogP2.72
Rot. Bonds4

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

[4-methyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol (PubChem CID 55117383) has the molecular formula C10H15F3N2OS and a molecular weight of 268.30 g/mol. Its IUPAC name is [4-methyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-methyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol
PubChem CID55117383
Molecular FormulaC10H15F3N2OS
Molecular Weight268.30 g/mol
Exact Mass268.09
IUPAC Name[4-methyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol
SMILESCc1nc(N(CC(F)(F)F)C(C)C)sc1CO
InChIInChI=1S/C10H15F3N2OS/c1-6(2)15(5-10(11,12)13)9-14-7(3)8(4-16)17-9/h6,16H,4-5H2,1-3H3
InChIKeyGYJZZIWEMJAQOE-UHFFFAOYSA-N
XLogP2.72
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol?
The IUPAC name of [4-methyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol (CID 55117383) is [4-methyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [4-methyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [4-methyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol is Cc1nc(N(CC(F)(F)F)C(C)C)sc1CO.
What is the InChIKey of [4-methyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol?
The InChIKey is GYJZZIWEMJAQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2OS/c1-6(2)15(5-10(11,12)13)9-14-7(3)8(4-16)17-9/h6,16H,4-5H2,1-3H3.
What are the key properties of [4-methyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol?
[4-methyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol has a molecular weight of 268.30 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 55117383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).