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

C5H4F3NOS — CID 130605286

IUPAC[5-(trifluoromethyl)-1,2-thiazol-3-yl]methanol
SMILESOCc1cc(C(F)(F)F)sn1
InChIInChI=1S/C5H4F3NOS/c6-5(7,8)4-1-3(2-10)9-11-4/h1,10H,2H2
InChIKeyHITYGMIQRKETSV-UHFFFAOYSA-N
MW183.15 g/mol
LogP1.65
Rot. Bonds1

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

[5-(trifluoromethyl)-1,2-thiazol-3-yl]methanol (PubChem CID 130605286) has the molecular formula C5H4F3NOS and a molecular weight of 183.15 g/mol. Its IUPAC name is [5-(trifluoromethyl)-1,2-thiazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(trifluoromethyl)-1,2-thiazol-3-yl]methanol
PubChem CID130605286
Molecular FormulaC5H4F3NOS
Molecular Weight183.15 g/mol
Exact Mass183.00
IUPAC Name[5-(trifluoromethyl)-1,2-thiazol-3-yl]methanol
SMILESOCc1cc(C(F)(F)F)sn1
InChIInChI=1S/C5H4F3NOS/c6-5(7,8)4-1-3(2-10)9-11-4/h1,10H,2H2
InChIKeyHITYGMIQRKETSV-UHFFFAOYSA-N
XLogP1.65
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.15
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-Methyl-1,2-thiazol-5-yl)methanol
CID 14343601
(5-Methyl-1,2-thiazol-3-yl)methanol
CID 86767403
(3-(Trifluoromethyl)isothiazol-5-yl)methanol
CID 130670799
1-(5-Methyl-1,2-thiazol-3-yl)ethanol
CID 45085688
(1R)-2,2,2-trifluoro-1-(3-methyl-1,2-thiazol-5-yl)ethanol
CID 130991631
(1S)-2,2,2-trifluoro-1-(1,2-thiazol-3-yl)ethanol
CID 131067597
2,2-Difluoro-1-(1,2-thiazol-3-yl)ethanol
CID 131096578
2,2,2-Trifluoro-1-(1,2-thiazol-3-yl)ethanol
CID 131163031
[3-(Hydroxymethyl)-1,2-thiazol-5-yl]methanol
CID 57107934
3-Ethyl-5-isothiazolemethanol
CID 89816508
(5-Ethylisothiazol-3-yl)methanol
CID 164719542
CID 172382613
CID 172382613

Frequently Asked Questions

What is the IUPAC name of [5-(trifluoromethyl)-1,2-thiazol-3-yl]methanol?
The IUPAC name of [5-(trifluoromethyl)-1,2-thiazol-3-yl]methanol (CID 130605286) is [5-(trifluoromethyl)-1,2-thiazol-3-yl]methanol.
What is the SMILES notation for [5-(trifluoromethyl)-1,2-thiazol-3-yl]methanol?
The canonical SMILES for [5-(trifluoromethyl)-1,2-thiazol-3-yl]methanol is OCc1cc(C(F)(F)F)sn1.
What is the InChIKey of [5-(trifluoromethyl)-1,2-thiazol-3-yl]methanol?
The InChIKey is HITYGMIQRKETSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3NOS/c6-5(7,8)4-1-3(2-10)9-11-4/h1,10H,2H2.
What are the key properties of [5-(trifluoromethyl)-1,2-thiazol-3-yl]methanol?
[5-(trifluoromethyl)-1,2-thiazol-3-yl]methanol has a molecular weight of 183.15 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(trifluoromethyl)-1,2-thiazol-3-yl]methanol is sourced from PubChem (CID 130605286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).