4-[3-(3,4-difluorophenyl)-2-(4-methoxyphenyl)propyl]-1,3-thiazole

C19H17F2NOS — CID 70332410

IUPAC4-[3-(3,4-difluorophenyl)-2-(4-methoxyphenyl)propyl]-1,3-thiazole
SMILESCOc1ccc(C(Cc2ccc(F)c(F)c2)Cc2cscn2)cc1
InChIInChI=1S/C19H17F2NOS/c1-23-17-5-3-14(4-6-17)15(10-16-11-24-12-22-16)8-13-2-7-18(20)19(21)9-13/h2-7,9,11-12,15H,8,10H2,1H3
InChIKeyBCILQXGRJPFCRE-UHFFFAOYSA-N
MW345.41 g/mol
LogP5.00
Rot. Bonds6

About 4-[3-(3,4-difluorophenyl)-2-(4-methoxyphenyl)propyl]-1,3-thiazole

4-[3-(3,4-difluorophenyl)-2-(4-methoxyphenyl)propyl]-1,3-thiazole (PubChem CID 70332410) has the molecular formula C19H17F2NOS and a molecular weight of 345.41 g/mol. Its IUPAC name is 4-[3-(3,4-difluorophenyl)-2-(4-methoxyphenyl)propyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[3-(3,4-difluorophenyl)-2-(4-methoxyphenyl)propyl]-1,3-thiazole
PubChem CID70332410
Molecular FormulaC19H17F2NOS
Molecular Weight345.41 g/mol
Exact Mass345.10
IUPAC Name4-[3-(3,4-difluorophenyl)-2-(4-methoxyphenyl)propyl]-1,3-thiazole
SMILESCOc1ccc(C(Cc2ccc(F)c(F)c2)Cc2cscn2)cc1
InChIInChI=1S/C19H17F2NOS/c1-23-17-5-3-14(4-6-17)15(10-16-11-24-12-22-16)8-13-2-7-18(20)19(21)9-13/h2-7,9,11-12,15H,8,10H2,1H3
InChIKeyBCILQXGRJPFCRE-UHFFFAOYSA-N
XLogP5.00
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(3,4-difluorophenyl)-2-(4-methoxyphenyl)propyl]-1,3-thiazole?
The IUPAC name of 4-[3-(3,4-difluorophenyl)-2-(4-methoxyphenyl)propyl]-1,3-thiazole (CID 70332410) is 4-[3-(3,4-difluorophenyl)-2-(4-methoxyphenyl)propyl]-1,3-thiazole.
What is the SMILES notation for 4-[3-(3,4-difluorophenyl)-2-(4-methoxyphenyl)propyl]-1,3-thiazole?
The canonical SMILES for 4-[3-(3,4-difluorophenyl)-2-(4-methoxyphenyl)propyl]-1,3-thiazole is COc1ccc(C(Cc2ccc(F)c(F)c2)Cc2cscn2)cc1.
What is the InChIKey of 4-[3-(3,4-difluorophenyl)-2-(4-methoxyphenyl)propyl]-1,3-thiazole?
The InChIKey is BCILQXGRJPFCRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2NOS/c1-23-17-5-3-14(4-6-17)15(10-16-11-24-12-22-16)8-13-2-7-18(20)19(21)9-13/h2-7,9,11-12,15H,8,10H2,1H3.
What are the key properties of 4-[3-(3,4-difluorophenyl)-2-(4-methoxyphenyl)propyl]-1,3-thiazole?
4-[3-(3,4-difluorophenyl)-2-(4-methoxyphenyl)propyl]-1,3-thiazole has a molecular weight of 345.41 g/mol, XLogP of 5.00, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3,4-difluorophenyl)-2-(4-methoxyphenyl)propyl]-1,3-thiazole is sourced from PubChem (CID 70332410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).