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

C7H8F3NOS — CID 156722367

IUPAC[2-ethyl-5-(trifluoromethyl)-1,3-thiazol-4-yl]methanol
SMILESCCc1nc(CO)c(C(F)(F)F)s1
InChIInChI=1S/C7H8F3NOS/c1-2-5-11-4(3-12)6(13-5)7(8,9)10/h12H,2-3H2,1H3
InChIKeyPQHZIGONVFLPJR-UHFFFAOYSA-N
MW211.21 g/mol
LogP2.22
Rot. Bonds2

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

[2-ethyl-5-(trifluoromethyl)-1,3-thiazol-4-yl]methanol (PubChem CID 156722367) has the molecular formula C7H8F3NOS and a molecular weight of 211.21 g/mol. Its IUPAC name is [2-ethyl-5-(trifluoromethyl)-1,3-thiazol-4-yl]methanol.

Molecular Properties

Compound Name[2-ethyl-5-(trifluoromethyl)-1,3-thiazol-4-yl]methanol
PubChem CID156722367
Molecular FormulaC7H8F3NOS
Molecular Weight211.21 g/mol
Exact Mass211.03
IUPAC Name[2-ethyl-5-(trifluoromethyl)-1,3-thiazol-4-yl]methanol
SMILESCCc1nc(CO)c(C(F)(F)F)s1
InChIInChI=1S/C7H8F3NOS/c1-2-5-11-4(3-12)6(13-5)7(8,9)10/h12H,2-3H2,1H3
InChIKeyPQHZIGONVFLPJR-UHFFFAOYSA-N
XLogP2.22
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.21
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-ethyl-5-(trifluoromethyl)-1,3-thiazol-4-yl]methanol?
The IUPAC name of [2-ethyl-5-(trifluoromethyl)-1,3-thiazol-4-yl]methanol (CID 156722367) is [2-ethyl-5-(trifluoromethyl)-1,3-thiazol-4-yl]methanol.
What is the SMILES notation for [2-ethyl-5-(trifluoromethyl)-1,3-thiazol-4-yl]methanol?
The canonical SMILES for [2-ethyl-5-(trifluoromethyl)-1,3-thiazol-4-yl]methanol is CCc1nc(CO)c(C(F)(F)F)s1.
What is the InChIKey of [2-ethyl-5-(trifluoromethyl)-1,3-thiazol-4-yl]methanol?
The InChIKey is PQHZIGONVFLPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NOS/c1-2-5-11-4(3-12)6(13-5)7(8,9)10/h12H,2-3H2,1H3.
What are the key properties of [2-ethyl-5-(trifluoromethyl)-1,3-thiazol-4-yl]methanol?
[2-ethyl-5-(trifluoromethyl)-1,3-thiazol-4-yl]methanol has a molecular weight of 211.21 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethyl-5-(trifluoromethyl)-1,3-thiazol-4-yl]methanol is sourced from PubChem (CID 156722367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).