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

C7H8ClF3N2OS — CID 80693627

IUPAC[4-chloro-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol
SMILESCN(CC(F)(F)F)c1nc(Cl)c(CO)s1
InChIInChI=1S/C7H8ClF3N2OS/c1-13(3-7(9,10)11)6-12-5(8)4(2-14)15-6/h14H,2-3H2,1H3
InChIKeyGMHSJOSXUUDQDQ-UHFFFAOYSA-N
MW260.67 g/mol
LogP2.29
Rot. Bonds3

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

[4-chloro-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol (PubChem CID 80693627) has the molecular formula C7H8ClF3N2OS and a molecular weight of 260.67 g/mol. Its IUPAC name is [4-chloro-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-chloro-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol
PubChem CID80693627
Molecular FormulaC7H8ClF3N2OS
Molecular Weight260.67 g/mol
Exact Mass260.00
IUPAC Name[4-chloro-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol
SMILESCN(CC(F)(F)F)c1nc(Cl)c(CO)s1
InChIInChI=1S/C7H8ClF3N2OS/c1-13(3-7(9,10)11)6-12-5(8)4(2-14)15-6/h14H,2-3H2,1H3
InChIKeyGMHSJOSXUUDQDQ-UHFFFAOYSA-N
XLogP2.29
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.67
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol?
The IUPAC name of [4-chloro-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol (CID 80693627) is [4-chloro-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [4-chloro-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [4-chloro-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol is CN(CC(F)(F)F)c1nc(Cl)c(CO)s1.
What is the InChIKey of [4-chloro-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol?
The InChIKey is GMHSJOSXUUDQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClF3N2OS/c1-13(3-7(9,10)11)6-12-5(8)4(2-14)15-6/h14H,2-3H2,1H3.
What are the key properties of [4-chloro-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol?
[4-chloro-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol has a molecular weight of 260.67 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 80693627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).