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

C15H15N3O2S — CID 46948100

IUPAC(4-methoxyphenyl)-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methanol
SMILESCOc1ccc(C(O)c2nc(-c3cnn(C)c3)cs2)cc1
InChIInChI=1S/C15H15N3O2S/c1-18-8-11(7-16-18)13-9-21-15(17-13)14(19)10-3-5-12(20-2)6-4-10/h3-9,14,19H,1-2H3
InChIKeyGBWUWOSZVKRKPB-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.63
Rot. Bonds4

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

(4-methoxyphenyl)-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methanol (PubChem CID 46948100) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is (4-methoxyphenyl)-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methanol.

Molecular Properties

Compound Name(4-methoxyphenyl)-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methanol
PubChem CID46948100
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC Name(4-methoxyphenyl)-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methanol
SMILESCOc1ccc(C(O)c2nc(-c3cnn(C)c3)cs2)cc1
InChIInChI=1S/C15H15N3O2S/c1-18-8-11(7-16-18)13-9-21-15(17-13)14(19)10-3-5-12(20-2)6-4-10/h3-9,14,19H,1-2H3
InChIKeyGBWUWOSZVKRKPB-UHFFFAOYSA-N
XLogP2.63
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methanol?
The IUPAC name of (4-methoxyphenyl)-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methanol (CID 46948100) is (4-methoxyphenyl)-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methanol.
What is the SMILES notation for (4-methoxyphenyl)-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methanol?
The canonical SMILES for (4-methoxyphenyl)-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methanol is COc1ccc(C(O)c2nc(-c3cnn(C)c3)cs2)cc1.
What is the InChIKey of (4-methoxyphenyl)-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methanol?
The InChIKey is GBWUWOSZVKRKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-18-8-11(7-16-18)13-9-21-15(17-13)14(19)10-3-5-12(20-2)6-4-10/h3-9,14,19H,1-2H3.
What are the key properties of (4-methoxyphenyl)-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methanol?
(4-methoxyphenyl)-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methanol has a molecular weight of 301.37 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methanol is sourced from PubChem (CID 46948100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).