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

C19H17F2NOS — CID 46942642

IUPAC(3,4-difluorophenyl)-[4-(3-propan-2-ylphenyl)-1,3-thiazol-2-yl]methanol
SMILESCC(C)c1cccc(-c2csc(C(O)c3ccc(F)c(F)c3)n2)c1
InChIInChI=1S/C19H17F2NOS/c1-11(2)12-4-3-5-13(8-12)17-10-24-19(22-17)18(23)14-6-7-15(20)16(21)9-14/h3-11,18,23H,1-2H3
InChIKeyNBDOHHMZYVHRSO-UHFFFAOYSA-N
MW345.41 g/mol
LogP5.29
Rot. Bonds4

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

(3,4-difluorophenyl)-[4-(3-propan-2-ylphenyl)-1,3-thiazol-2-yl]methanol (PubChem CID 46942642) has the molecular formula C19H17F2NOS and a molecular weight of 345.41 g/mol. Its IUPAC name is (3,4-difluorophenyl)-[4-(3-propan-2-ylphenyl)-1,3-thiazol-2-yl]methanol.

Molecular Properties

Compound Name(3,4-difluorophenyl)-[4-(3-propan-2-ylphenyl)-1,3-thiazol-2-yl]methanol
PubChem CID46942642
Molecular FormulaC19H17F2NOS
Molecular Weight345.41 g/mol
Exact Mass345.10
IUPAC Name(3,4-difluorophenyl)-[4-(3-propan-2-ylphenyl)-1,3-thiazol-2-yl]methanol
SMILESCC(C)c1cccc(-c2csc(C(O)c3ccc(F)c(F)c3)n2)c1
InChIInChI=1S/C19H17F2NOS/c1-11(2)12-4-3-5-13(8-12)17-10-24-19(22-17)18(23)14-6-7-15(20)16(21)9-14/h3-11,18,23H,1-2H3
InChIKeyNBDOHHMZYVHRSO-UHFFFAOYSA-N
XLogP5.29
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.41
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-[4-(3-propan-2-ylphenyl)-1,3-thiazol-2-yl]methanol?
The IUPAC name of (3,4-difluorophenyl)-[4-(3-propan-2-ylphenyl)-1,3-thiazol-2-yl]methanol (CID 46942642) is (3,4-difluorophenyl)-[4-(3-propan-2-ylphenyl)-1,3-thiazol-2-yl]methanol.
What is the SMILES notation for (3,4-difluorophenyl)-[4-(3-propan-2-ylphenyl)-1,3-thiazol-2-yl]methanol?
The canonical SMILES for (3,4-difluorophenyl)-[4-(3-propan-2-ylphenyl)-1,3-thiazol-2-yl]methanol is CC(C)c1cccc(-c2csc(C(O)c3ccc(F)c(F)c3)n2)c1.
What is the InChIKey of (3,4-difluorophenyl)-[4-(3-propan-2-ylphenyl)-1,3-thiazol-2-yl]methanol?
The InChIKey is NBDOHHMZYVHRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2NOS/c1-11(2)12-4-3-5-13(8-12)17-10-24-19(22-17)18(23)14-6-7-15(20)16(21)9-14/h3-11,18,23H,1-2H3.
What are the key properties of (3,4-difluorophenyl)-[4-(3-propan-2-ylphenyl)-1,3-thiazol-2-yl]methanol?
(3,4-difluorophenyl)-[4-(3-propan-2-ylphenyl)-1,3-thiazol-2-yl]methanol has a molecular weight of 345.41 g/mol, XLogP of 5.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-[4-(3-propan-2-ylphenyl)-1,3-thiazol-2-yl]methanol is sourced from PubChem (CID 46942642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).