2-(2-fluoro-3-methoxyphenyl)-4-(3-methoxyphenyl)-1,3-thiazole

C17H14FNO2S — CID 71457890

IUPAC2-(2-fluoro-3-methoxyphenyl)-4-(3-methoxyphenyl)-1,3-thiazole
SMILESCOc1cccc(-c2csc(-c3cccc(OC)c3F)n2)c1
InChIInChI=1S/C17H14FNO2S/c1-20-12-6-3-5-11(9-12)14-10-22-17(19-14)13-7-4-8-15(21-2)16(13)18/h3-10H,1-2H3
InChIKeyMZJMQUWBYHIUSU-UHFFFAOYSA-N
MW315.37 g/mol
LogP4.63
Rot. Bonds4

About 2-(2-fluoro-3-methoxyphenyl)-4-(3-methoxyphenyl)-1,3-thiazole

2-(2-fluoro-3-methoxyphenyl)-4-(3-methoxyphenyl)-1,3-thiazole (PubChem CID 71457890) has the molecular formula C17H14FNO2S and a molecular weight of 315.37 g/mol. Its IUPAC name is 2-(2-fluoro-3-methoxyphenyl)-4-(3-methoxyphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(2-fluoro-3-methoxyphenyl)-4-(3-methoxyphenyl)-1,3-thiazole
PubChem CID71457890
Molecular FormulaC17H14FNO2S
Molecular Weight315.37 g/mol
Exact Mass315.07
IUPAC Name2-(2-fluoro-3-methoxyphenyl)-4-(3-methoxyphenyl)-1,3-thiazole
SMILESCOc1cccc(-c2csc(-c3cccc(OC)c3F)n2)c1
InChIInChI=1S/C17H14FNO2S/c1-20-12-6-3-5-11(9-12)14-10-22-17(19-14)13-7-4-8-15(21-2)16(13)18/h3-10H,1-2H3
InChIKeyMZJMQUWBYHIUSU-UHFFFAOYSA-N
XLogP4.63
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Itazigrel
CID 51087
4-(Chloromethyl)-2-(3-methoxyphenyl)-1,3-thiazole hydrochloride
CID 16196167
4-(Chloromethyl)-2-(2,3-dimethoxyphenyl)-1,3-thiazole hydrochloride
CID 16196882
Sodium 2-[2-(3-phenoxyphenyl)-1,3-thiazol-4-yl]acetate
CID 23672769
3-[2-(3-Hydroxyphenyl)-1,3-thiazol-4-yl]phenol
CID 25093377
4-(4-(4-Methoxyphenyl)thiazol-2-yl)phenol
CID 829532
4-[3-(Trifluoromethoxy)phenyl]-1,3-thiazol-2-amine
CID 2760731
4-[2-(3-Hydroxyphenyl)-1,3-thiazol-4-yl]phenol
CID 25093376
4-(3-Methoxyphenyl)-1,3-thiazol-2-amine
CID 734629
2-(Fluoromethyl)4-(2-(3-methoxyphenyl)ethynyl)thiazole
CID 16737209
4-(2,4-Dimethoxyphenyl)-2-phenyl-1,3-thiazole
CID 2441960
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylthiazole
CID 2742348

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-3-methoxyphenyl)-4-(3-methoxyphenyl)-1,3-thiazole?
The IUPAC name of 2-(2-fluoro-3-methoxyphenyl)-4-(3-methoxyphenyl)-1,3-thiazole (CID 71457890) is 2-(2-fluoro-3-methoxyphenyl)-4-(3-methoxyphenyl)-1,3-thiazole.
What is the SMILES notation for 2-(2-fluoro-3-methoxyphenyl)-4-(3-methoxyphenyl)-1,3-thiazole?
The canonical SMILES for 2-(2-fluoro-3-methoxyphenyl)-4-(3-methoxyphenyl)-1,3-thiazole is COc1cccc(-c2csc(-c3cccc(OC)c3F)n2)c1.
What is the InChIKey of 2-(2-fluoro-3-methoxyphenyl)-4-(3-methoxyphenyl)-1,3-thiazole?
The InChIKey is MZJMQUWBYHIUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO2S/c1-20-12-6-3-5-11(9-12)14-10-22-17(19-14)13-7-4-8-15(21-2)16(13)18/h3-10H,1-2H3.
What are the key properties of 2-(2-fluoro-3-methoxyphenyl)-4-(3-methoxyphenyl)-1,3-thiazole?
2-(2-fluoro-3-methoxyphenyl)-4-(3-methoxyphenyl)-1,3-thiazole has a molecular weight of 315.37 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-3-methoxyphenyl)-4-(3-methoxyphenyl)-1,3-thiazole is sourced from PubChem (CID 71457890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).