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

C9H12ClF3N2OS — CID 80693338

IUPAC[4-chloro-2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol
SMILESCCCN(CC(F)(F)F)c1nc(Cl)c(CO)s1
InChIInChI=1S/C9H12ClF3N2OS/c1-2-3-15(5-9(11,12)13)8-14-7(10)6(4-16)17-8/h16H,2-5H2,1H3
InChIKeyWMFQFCSGPQDCPY-UHFFFAOYSA-N
MW288.72 g/mol
LogP3.07
Rot. Bonds5

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

[4-chloro-2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol (PubChem CID 80693338) has the molecular formula C9H12ClF3N2OS and a molecular weight of 288.72 g/mol. Its IUPAC name is [4-chloro-2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-chloro-2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol
PubChem CID80693338
Molecular FormulaC9H12ClF3N2OS
Molecular Weight288.72 g/mol
Exact Mass288.03
IUPAC Name[4-chloro-2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol
SMILESCCCN(CC(F)(F)F)c1nc(Cl)c(CO)s1
InChIInChI=1S/C9H12ClF3N2OS/c1-2-3-15(5-9(11,12)13)8-14-7(10)6(4-16)17-8/h16H,2-5H2,1H3
InChIKeyWMFQFCSGPQDCPY-UHFFFAOYSA-N
XLogP3.07
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol?
The IUPAC name of [4-chloro-2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol (CID 80693338) is [4-chloro-2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [4-chloro-2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [4-chloro-2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol is CCCN(CC(F)(F)F)c1nc(Cl)c(CO)s1.
What is the InChIKey of [4-chloro-2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol?
The InChIKey is WMFQFCSGPQDCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClF3N2OS/c1-2-3-15(5-9(11,12)13)8-14-7(10)6(4-16)17-8/h16H,2-5H2,1H3.
What are the key properties of [4-chloro-2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol?
[4-chloro-2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol has a molecular weight of 288.72 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 80693338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).