[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol

C6H6F3NOS — CID 46856414

IUPAC[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
SMILESCc1nc(C(F)(F)F)sc1CO
InChIInChI=1S/C6H6F3NOS/c1-3-4(2-11)12-5(10-3)6(7,8)9/h11H,2H2,1H3
InChIKeyNQRCRCVXRVBAKB-UHFFFAOYSA-N
MW197.18 g/mol
LogP1.96
Rot. Bonds1

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

[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol (PubChem CID 46856414) has the molecular formula C6H6F3NOS and a molecular weight of 197.18 g/mol. Its IUPAC name is [4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
PubChem CID46856414
Molecular FormulaC6H6F3NOS
Molecular Weight197.18 g/mol
Exact Mass197.01
IUPAC Name[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
SMILESCc1nc(C(F)(F)F)sc1CO
InChIInChI=1S/C6H6F3NOS/c1-3-4(2-11)12-5(10-3)6(7,8)9/h11H,2H2,1H3
InChIKeyNQRCRCVXRVBAKB-UHFFFAOYSA-N
XLogP1.96
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.18
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The IUPAC name of [4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol (CID 46856414) is [4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol is Cc1nc(C(F)(F)F)sc1CO.
What is the InChIKey of [4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The InChIKey is NQRCRCVXRVBAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3NOS/c1-3-4(2-11)12-5(10-3)6(7,8)9/h11H,2H2,1H3.
What are the key properties of [4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol has a molecular weight of 197.18 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 46856414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).