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

C9H12ClF3N2OS — CID 80693339

IUPAC[4-chloro-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol
SMILESCC(C)N(CC(F)(F)F)c1nc(Cl)c(CO)s1
InChIInChI=1S/C9H12ClF3N2OS/c1-5(2)15(4-9(11,12)13)8-14-7(10)6(3-16)17-8/h5,16H,3-4H2,1-2H3
InChIKeyWEVMZQALSAGECM-UHFFFAOYSA-N
MW288.72 g/mol
LogP3.07
Rot. Bonds4

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

[4-chloro-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol (PubChem CID 80693339) has the molecular formula C9H12ClF3N2OS and a molecular weight of 288.72 g/mol. Its IUPAC name is [4-chloro-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-chloro-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol
PubChem CID80693339
Molecular FormulaC9H12ClF3N2OS
Molecular Weight288.72 g/mol
Exact Mass288.03
IUPAC Name[4-chloro-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol
SMILESCC(C)N(CC(F)(F)F)c1nc(Cl)c(CO)s1
InChIInChI=1S/C9H12ClF3N2OS/c1-5(2)15(4-9(11,12)13)8-14-7(10)6(3-16)17-8/h5,16H,3-4H2,1-2H3
InChIKeyWEVMZQALSAGECM-UHFFFAOYSA-N
XLogP3.07
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.72
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol?
The IUPAC name of [4-chloro-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol (CID 80693339) is [4-chloro-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [4-chloro-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [4-chloro-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol is CC(C)N(CC(F)(F)F)c1nc(Cl)c(CO)s1.
What is the InChIKey of [4-chloro-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol?
The InChIKey is WEVMZQALSAGECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClF3N2OS/c1-5(2)15(4-9(11,12)13)8-14-7(10)6(3-16)17-8/h5,16H,3-4H2,1-2H3.
What are the key properties of [4-chloro-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol?
[4-chloro-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol has a molecular weight of 288.72 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 80693339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).