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

C8H10ClF3N2OS — CID 80693002

IUPAC[4-chloro-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol
SMILESCCN(CC(F)(F)F)c1nc(Cl)c(CO)s1
InChIInChI=1S/C8H10ClF3N2OS/c1-2-14(4-8(10,11)12)7-13-6(9)5(3-15)16-7/h15H,2-4H2,1H3
InChIKeyVAYCQXZKNMUUBC-UHFFFAOYSA-N
MW274.70 g/mol
LogP2.68
Rot. Bonds4

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

[4-chloro-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol (PubChem CID 80693002) has the molecular formula C8H10ClF3N2OS and a molecular weight of 274.70 g/mol. Its IUPAC name is [4-chloro-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-chloro-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol
PubChem CID80693002
Molecular FormulaC8H10ClF3N2OS
Molecular Weight274.70 g/mol
Exact Mass274.02
IUPAC Name[4-chloro-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol
SMILESCCN(CC(F)(F)F)c1nc(Cl)c(CO)s1
InChIInChI=1S/C8H10ClF3N2OS/c1-2-14(4-8(10,11)12)7-13-6(9)5(3-15)16-7/h15H,2-4H2,1H3
InChIKeyVAYCQXZKNMUUBC-UHFFFAOYSA-N
XLogP2.68
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.70
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol?
The IUPAC name of [4-chloro-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol (CID 80693002) is [4-chloro-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [4-chloro-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [4-chloro-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol is CCN(CC(F)(F)F)c1nc(Cl)c(CO)s1.
What is the InChIKey of [4-chloro-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol?
The InChIKey is VAYCQXZKNMUUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClF3N2OS/c1-2-14(4-8(10,11)12)7-13-6(9)5(3-15)16-7/h15H,2-4H2,1H3.
What are the key properties of [4-chloro-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol?
[4-chloro-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol has a molecular weight of 274.70 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 80693002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).