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

C17H13F2NO2S — CID 46942776

IUPAC(3,4-difluorophenyl)-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]methanol
SMILESCOc1ccccc1-c1csc(C(O)c2ccc(F)c(F)c2)n1
InChIInChI=1S/C17H13F2NO2S/c1-22-15-5-3-2-4-11(15)14-9-23-17(20-14)16(21)10-6-7-12(18)13(19)8-10/h2-9,16,21H,1H3
InChIKeyRPGISJQUVMRCNW-UHFFFAOYSA-N
MW333.36 g/mol
LogP4.18
Rot. Bonds4

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

(3,4-difluorophenyl)-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]methanol (PubChem CID 46942776) has the molecular formula C17H13F2NO2S and a molecular weight of 333.36 g/mol. Its IUPAC name is (3,4-difluorophenyl)-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]methanol.

Molecular Properties

Compound Name(3,4-difluorophenyl)-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]methanol
PubChem CID46942776
Molecular FormulaC17H13F2NO2S
Molecular Weight333.36 g/mol
Exact Mass333.06
IUPAC Name(3,4-difluorophenyl)-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]methanol
SMILESCOc1ccccc1-c1csc(C(O)c2ccc(F)c(F)c2)n1
InChIInChI=1S/C17H13F2NO2S/c1-22-15-5-3-2-4-11(15)14-9-23-17(20-14)16(21)10-6-7-12(18)13(19)8-10/h2-9,16,21H,1H3
InChIKeyRPGISJQUVMRCNW-UHFFFAOYSA-N
XLogP4.18
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]methanol?
The IUPAC name of (3,4-difluorophenyl)-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]methanol (CID 46942776) is (3,4-difluorophenyl)-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]methanol.
What is the SMILES notation for (3,4-difluorophenyl)-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]methanol?
The canonical SMILES for (3,4-difluorophenyl)-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]methanol is COc1ccccc1-c1csc(C(O)c2ccc(F)c(F)c2)n1.
What is the InChIKey of (3,4-difluorophenyl)-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]methanol?
The InChIKey is RPGISJQUVMRCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2NO2S/c1-22-15-5-3-2-4-11(15)14-9-23-17(20-14)16(21)10-6-7-12(18)13(19)8-10/h2-9,16,21H,1H3.
What are the key properties of (3,4-difluorophenyl)-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]methanol?
(3,4-difluorophenyl)-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]methanol has a molecular weight of 333.36 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]methanol is sourced from PubChem (CID 46942776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).