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

C9H10F3NOS — CID 106782788

IUPAC(2-methylcyclopropyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
SMILESCC1CC1C(O)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C9H10F3NOS/c1-4-2-5(4)7(14)6-3-13-8(15-6)9(10,11)12/h3-5,7,14H,2H2,1H3
InChIKeyWWKFVAWELNXQRZ-UHFFFAOYSA-N
MW237.25 g/mol
LogP2.85
Rot. Bonds2

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

(2-methylcyclopropyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol (PubChem CID 106782788) has the molecular formula C9H10F3NOS and a molecular weight of 237.25 g/mol. Its IUPAC name is (2-methylcyclopropyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name(2-methylcyclopropyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
PubChem CID106782788
Molecular FormulaC9H10F3NOS
Molecular Weight237.25 g/mol
Exact Mass237.04
IUPAC Name(2-methylcyclopropyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
SMILESCC1CC1C(O)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C9H10F3NOS/c1-4-2-5(4)7(14)6-3-13-8(15-6)9(10,11)12/h3-5,7,14H,2H2,1H3
InChIKeyWWKFVAWELNXQRZ-UHFFFAOYSA-N
XLogP2.85
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-methylcyclopropyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The IUPAC name of (2-methylcyclopropyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol (CID 106782788) is (2-methylcyclopropyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for (2-methylcyclopropyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for (2-methylcyclopropyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol is CC1CC1C(O)c1cnc(C(F)(F)F)s1.
What is the InChIKey of (2-methylcyclopropyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The InChIKey is WWKFVAWELNXQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NOS/c1-4-2-5(4)7(14)6-3-13-8(15-6)9(10,11)12/h3-5,7,14H,2H2,1H3.
What are the key properties of (2-methylcyclopropyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
(2-methylcyclopropyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol has a molecular weight of 237.25 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylcyclopropyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 106782788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).