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

C9H7ClF3N3OS — CID 114239448

IUPAC(5-chloro-1-methylimidazol-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
SMILESCn1c(Cl)cnc1C(O)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C9H7ClF3N3OS/c1-16-5(10)3-14-7(16)6(17)4-2-15-8(18-4)9(11,12)13/h2-3,6,17H,1H3
InChIKeyOYWRXNIDMCHVBP-UHFFFAOYSA-N
MW297.69 g/mol
LogP2.63
Rot. Bonds2

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

(5-chloro-1-methylimidazol-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol (PubChem CID 114239448) has the molecular formula C9H7ClF3N3OS and a molecular weight of 297.69 g/mol. Its IUPAC name is (5-chloro-1-methylimidazol-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name(5-chloro-1-methylimidazol-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
PubChem CID114239448
Molecular FormulaC9H7ClF3N3OS
Molecular Weight297.69 g/mol
Exact Mass297.00
IUPAC Name(5-chloro-1-methylimidazol-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
SMILESCn1c(Cl)cnc1C(O)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C9H7ClF3N3OS/c1-16-5(10)3-14-7(16)6(17)4-2-15-8(18-4)9(11,12)13/h2-3,6,17H,1H3
InChIKeyOYWRXNIDMCHVBP-UHFFFAOYSA-N
XLogP2.63
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.69
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-Methylimidazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106782168
(3-Propylimidazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106782169
(3-Propan-2-ylimidazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106782170
1H-imidazol-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106782841
(1-Methylimidazol-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106782856
(1-Methylimidazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 107978803
(3-Ethylimidazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 113876570
1-[2-[Methyl-[(1-methylimidazol-2-yl)methyl]amino]-1,3-thiazol-5-yl]ethanol
CID 63026216
(1-Ethylimidazol-2-yl)-(1,3-thiazol-5-yl)methanol
CID 80477127
(1-Propylimidazol-2-yl)-(1,3-thiazol-5-yl)methanol
CID 80477268
(1-Methylimidazol-2-yl)-(1,3-thiazol-5-yl)methanol
CID 80477269
1-[2-(1-Methylimidazol-2-yl)-1,3-thiazol-5-yl]ethanol
CID 81681943

Frequently Asked Questions

What is the IUPAC name of (5-chloro-1-methylimidazol-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The IUPAC name of (5-chloro-1-methylimidazol-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol (CID 114239448) is (5-chloro-1-methylimidazol-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for (5-chloro-1-methylimidazol-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for (5-chloro-1-methylimidazol-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol is Cn1c(Cl)cnc1C(O)c1cnc(C(F)(F)F)s1.
What is the InChIKey of (5-chloro-1-methylimidazol-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The InChIKey is OYWRXNIDMCHVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF3N3OS/c1-16-5(10)3-14-7(16)6(17)4-2-15-8(18-4)9(11,12)13/h2-3,6,17H,1H3.
What are the key properties of (5-chloro-1-methylimidazol-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
(5-chloro-1-methylimidazol-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol has a molecular weight of 297.69 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1-methylimidazol-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 114239448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).