(4-methyl-1,3-thiazol-5-yl)-(2,4,5-trifluoro-3-methylphenyl)methanol

C12H10F3NOS — CID 22101830

IUPAC(4-methyl-1,3-thiazol-5-yl)-(2,4,5-trifluoro-3-methylphenyl)methanol
SMILESCc1ncsc1C(O)c1cc(F)c(F)c(C)c1F
InChIInChI=1S/C12H10F3NOS/c1-5-9(14)7(3-8(13)10(5)15)11(17)12-6(2)16-4-18-12/h3-4,11,17H,1-2H3
InChIKeyVWWDKZDXJVYGFL-UHFFFAOYSA-N
MW273.28 g/mol
LogP3.26
Rot. Bonds2

About (4-methyl-1,3-thiazol-5-yl)-(2,4,5-trifluoro-3-methylphenyl)methanol

(4-methyl-1,3-thiazol-5-yl)-(2,4,5-trifluoro-3-methylphenyl)methanol (PubChem CID 22101830) has the molecular formula C12H10F3NOS and a molecular weight of 273.28 g/mol. Its IUPAC name is (4-methyl-1,3-thiazol-5-yl)-(2,4,5-trifluoro-3-methylphenyl)methanol.

Molecular Properties

Compound Name(4-methyl-1,3-thiazol-5-yl)-(2,4,5-trifluoro-3-methylphenyl)methanol
PubChem CID22101830
Molecular FormulaC12H10F3NOS
Molecular Weight273.28 g/mol
Exact Mass273.04
IUPAC Name(4-methyl-1,3-thiazol-5-yl)-(2,4,5-trifluoro-3-methylphenyl)methanol
SMILESCc1ncsc1C(O)c1cc(F)c(F)c(C)c1F
InChIInChI=1S/C12H10F3NOS/c1-5-9(14)7(3-8(13)10(5)15)11(17)12-6(2)16-4-18-12/h3-4,11,17H,1-2H3
InChIKeyVWWDKZDXJVYGFL-UHFFFAOYSA-N
XLogP3.26
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-1,3-thiazol-5-yl)-(2,4,5-trifluoro-3-methylphenyl)methanol?
The IUPAC name of (4-methyl-1,3-thiazol-5-yl)-(2,4,5-trifluoro-3-methylphenyl)methanol (CID 22101830) is (4-methyl-1,3-thiazol-5-yl)-(2,4,5-trifluoro-3-methylphenyl)methanol.
What is the SMILES notation for (4-methyl-1,3-thiazol-5-yl)-(2,4,5-trifluoro-3-methylphenyl)methanol?
The canonical SMILES for (4-methyl-1,3-thiazol-5-yl)-(2,4,5-trifluoro-3-methylphenyl)methanol is Cc1ncsc1C(O)c1cc(F)c(F)c(C)c1F.
What is the InChIKey of (4-methyl-1,3-thiazol-5-yl)-(2,4,5-trifluoro-3-methylphenyl)methanol?
The InChIKey is VWWDKZDXJVYGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NOS/c1-5-9(14)7(3-8(13)10(5)15)11(17)12-6(2)16-4-18-12/h3-4,11,17H,1-2H3.
What are the key properties of (4-methyl-1,3-thiazol-5-yl)-(2,4,5-trifluoro-3-methylphenyl)methanol?
(4-methyl-1,3-thiazol-5-yl)-(2,4,5-trifluoro-3-methylphenyl)methanol has a molecular weight of 273.28 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1,3-thiazol-5-yl)-(2,4,5-trifluoro-3-methylphenyl)methanol is sourced from PubChem (CID 22101830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).