2-(3,4-dimethoxyphenyl)-4-(4-fluorophenyl)-5-methyl-1,3-thiazole

C18H16FNO2S — CID 9467644

IUPAC2-(3,4-dimethoxyphenyl)-4-(4-fluorophenyl)-5-methyl-1,3-thiazole
SMILESCOc1ccc(-c2nc(-c3ccc(F)cc3)c(C)s2)cc1OC
InChIInChI=1S/C18H16FNO2S/c1-11-17(12-4-7-14(19)8-5-12)20-18(23-11)13-6-9-15(21-2)16(10-13)22-3/h4-10H,1-3H3
InChIKeyBEGJTWRZEKDVPH-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.94
Rot. Bonds4

About 2-(3,4-dimethoxyphenyl)-4-(4-fluorophenyl)-5-methyl-1,3-thiazole

2-(3,4-dimethoxyphenyl)-4-(4-fluorophenyl)-5-methyl-1,3-thiazole (PubChem CID 9467644) has the molecular formula C18H16FNO2S and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-4-(4-fluorophenyl)-5-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-4-(4-fluorophenyl)-5-methyl-1,3-thiazole
PubChem CID9467644
Molecular FormulaC18H16FNO2S
Molecular Weight329.40 g/mol
Exact Mass329.09
IUPAC Name2-(3,4-dimethoxyphenyl)-4-(4-fluorophenyl)-5-methyl-1,3-thiazole
SMILESCOc1ccc(-c2nc(-c3ccc(F)cc3)c(C)s2)cc1OC
InChIInChI=1S/C18H16FNO2S/c1-11-17(12-4-7-14(19)8-5-12)20-18(23-11)13-6-9-15(21-2)16(10-13)22-3/h4-10H,1-3H3
InChIKeyBEGJTWRZEKDVPH-UHFFFAOYSA-N
XLogP4.94
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dimethoxyphenyl)-N,4-dimethyl-1,3-thiazol-5-amine
CID 116885804
N-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2,4-difluorobenzamide
CID 48998312
4-(4-bromophenyl)-2-(4-methoxyphenyl)-5-methyl-1,3-thiazole
CID 78907377
4-(2,4-dimethoxyphenyl)-2-(3-fluorophenyl)-5-methyl-1,3-thiazole
CID 112769637
3-(4-fluorophenyl)-4-methoxy-6-methylpyridazine
CID 165373089
2-(3,4-dimethoxyphenyl)-4,6-dimethyl-1,3-benzothiazole
CID 95909841
O-[2-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]hydroxylamine
CID 39403548
2-[(3,4-dimethoxyphenyl)methyl]-4-(4-methoxyphenyl)-5-methyl-1,3-thiazole
CID 31264291
2-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-N-methylethanamine
CID 82103000
[2-(4-ethoxy-3-methoxyphenyl)-5-methyl-1,3-thiazol-4-yl]methanol
CID 117098981
4-(4-bromophenyl)-2-(5-fluoro-2-methylphenyl)-5-methyl-1,3-thiazole
CID 79831720
2,4-bis(4-bromophenyl)-5-methyl-1,3-thiazole
CID 78907473

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-4-(4-fluorophenyl)-5-methyl-1,3-thiazole?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-4-(4-fluorophenyl)-5-methyl-1,3-thiazole (CID 9467644) is 2-(3,4-dimethoxyphenyl)-4-(4-fluorophenyl)-5-methyl-1,3-thiazole.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-4-(4-fluorophenyl)-5-methyl-1,3-thiazole?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-4-(4-fluorophenyl)-5-methyl-1,3-thiazole is COc1ccc(-c2nc(-c3ccc(F)cc3)c(C)s2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-4-(4-fluorophenyl)-5-methyl-1,3-thiazole?
The InChIKey is BEGJTWRZEKDVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO2S/c1-11-17(12-4-7-14(19)8-5-12)20-18(23-11)13-6-9-15(21-2)16(10-13)22-3/h4-10H,1-3H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-4-(4-fluorophenyl)-5-methyl-1,3-thiazole?
2-(3,4-dimethoxyphenyl)-4-(4-fluorophenyl)-5-methyl-1,3-thiazole has a molecular weight of 329.40 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-4-(4-fluorophenyl)-5-methyl-1,3-thiazole is sourced from PubChem (CID 9467644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).