(4-fluoro-3-methoxyphenyl)-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methanol

C15H14FN3O2S — CID 46948134

IUPAC(4-fluoro-3-methoxyphenyl)-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methanol
SMILESCOc1cc(C(O)c2nc(-c3cnn(C)c3)cs2)ccc1F
InChIInChI=1S/C15H14FN3O2S/c1-19-7-10(6-17-19)12-8-22-15(18-12)14(20)9-3-4-11(16)13(5-9)21-2/h3-8,14,20H,1-2H3
InChIKeyGDHVQRDWHRUCCY-UHFFFAOYSA-N
MW319.36 g/mol
LogP2.77
Rot. Bonds4

About (4-fluoro-3-methoxyphenyl)-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methanol

(4-fluoro-3-methoxyphenyl)-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methanol (PubChem CID 46948134) has the molecular formula C15H14FN3O2S and a molecular weight of 319.36 g/mol. Its IUPAC name is (4-fluoro-3-methoxyphenyl)-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methanol.

Molecular Properties

Compound Name(4-fluoro-3-methoxyphenyl)-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methanol
PubChem CID46948134
Molecular FormulaC15H14FN3O2S
Molecular Weight319.36 g/mol
Exact Mass319.08
IUPAC Name(4-fluoro-3-methoxyphenyl)-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methanol
SMILESCOc1cc(C(O)c2nc(-c3cnn(C)c3)cs2)ccc1F
InChIInChI=1S/C15H14FN3O2S/c1-19-7-10(6-17-19)12-8-22-15(18-12)14(20)9-3-4-11(16)13(5-9)21-2/h3-8,14,20H,1-2H3
InChIKeyGDHVQRDWHRUCCY-UHFFFAOYSA-N
XLogP2.77
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-fluoro-3-methoxyphenyl)-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methanol?
The IUPAC name of (4-fluoro-3-methoxyphenyl)-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methanol (CID 46948134) is (4-fluoro-3-methoxyphenyl)-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methanol.
What is the SMILES notation for (4-fluoro-3-methoxyphenyl)-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methanol?
The canonical SMILES for (4-fluoro-3-methoxyphenyl)-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methanol is COc1cc(C(O)c2nc(-c3cnn(C)c3)cs2)ccc1F.
What is the InChIKey of (4-fluoro-3-methoxyphenyl)-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methanol?
The InChIKey is GDHVQRDWHRUCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O2S/c1-19-7-10(6-17-19)12-8-22-15(18-12)14(20)9-3-4-11(16)13(5-9)21-2/h3-8,14,20H,1-2H3.
What are the key properties of (4-fluoro-3-methoxyphenyl)-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methanol?
(4-fluoro-3-methoxyphenyl)-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methanol has a molecular weight of 319.36 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-3-methoxyphenyl)-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methanol is sourced from PubChem (CID 46948134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).