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

C16H13FN2OS2 — CID 103597527

IUPAC4-(3-fluoro-4-methoxyphenyl)-2-(2-methylsulfanyl-4-pyridinyl)-1,3-thiazole
SMILESCOc1ccc(-c2csc(-c3ccnc(SC)c3)n2)cc1F
InChIInChI=1S/C16H13FN2OS2/c1-20-14-4-3-10(7-12(14)17)13-9-22-16(19-13)11-5-6-18-15(8-11)21-2/h3-9H,1-2H3
InChIKeyJJVGEDGQTHVFSU-UHFFFAOYSA-N
MW332.43 g/mol
LogP4.74
Rot. Bonds4

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

4-(3-fluoro-4-methoxyphenyl)-2-(2-methylsulfanyl-4-pyridinyl)-1,3-thiazole (PubChem CID 103597527) has the molecular formula C16H13FN2OS2 and a molecular weight of 332.43 g/mol. Its IUPAC name is 4-(3-fluoro-4-methoxyphenyl)-2-(2-methylsulfanyl-4-pyridinyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(3-fluoro-4-methoxyphenyl)-2-(2-methylsulfanyl-4-pyridinyl)-1,3-thiazole
PubChem CID103597527
Molecular FormulaC16H13FN2OS2
Molecular Weight332.43 g/mol
Exact Mass332.05
IUPAC Name4-(3-fluoro-4-methoxyphenyl)-2-(2-methylsulfanyl-4-pyridinyl)-1,3-thiazole
SMILESCOc1ccc(-c2csc(-c3ccnc(SC)c3)n2)cc1F
InChIInChI=1S/C16H13FN2OS2/c1-20-14-4-3-10(7-12(14)17)13-9-22-16(19-13)11-5-6-18-15(8-11)21-2/h3-9H,1-2H3
InChIKeyJJVGEDGQTHVFSU-UHFFFAOYSA-N
XLogP4.74
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-fluoro-4-methoxyphenyl)-2-pyridin-4-yl-1,3-thiazole
CID 31263109
2-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-4-thiophen-2-yl-1,3-thiazole
CID 46245962
4-(3-fluoro-4-methoxyphenyl)-2-propan-2-yl-1,3-thiazole
CID 59333191
2-(3,4-dimethoxyphenyl)-4-phenyl-1,3-thiazole
CID 1147052
N-[3-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide
CID 9173855
4-(3-fluoro-4-methoxyphenyl)-1,3-thiazole-2-carbothioamide
CID 73253852
[4-(3-fluoro-4-methoxyphenyl)pyrimidin-2-yl]methanamine
CID 82475463
2-(3,4-dimethoxyphenyl)-4-pyridin-2-yl-1,3-thiazole
CID 18707182
3-[2-(2-ethylsulfanyl-4-pyridinyl)-1,3-thiazol-4-yl]-2,6-dimethoxyphenol
CID 103597559
1-[2-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-4-yl]-N-methylethanamine
CID 65096351
1-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 4613320
2-amino-4-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]phenol;dihydrochloride
CID 18707378

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-4-methoxyphenyl)-2-(2-methylsulfanyl-4-pyridinyl)-1,3-thiazole?
The IUPAC name of 4-(3-fluoro-4-methoxyphenyl)-2-(2-methylsulfanyl-4-pyridinyl)-1,3-thiazole (CID 103597527) is 4-(3-fluoro-4-methoxyphenyl)-2-(2-methylsulfanyl-4-pyridinyl)-1,3-thiazole.
What is the SMILES notation for 4-(3-fluoro-4-methoxyphenyl)-2-(2-methylsulfanyl-4-pyridinyl)-1,3-thiazole?
The canonical SMILES for 4-(3-fluoro-4-methoxyphenyl)-2-(2-methylsulfanyl-4-pyridinyl)-1,3-thiazole is COc1ccc(-c2csc(-c3ccnc(SC)c3)n2)cc1F.
What is the InChIKey of 4-(3-fluoro-4-methoxyphenyl)-2-(2-methylsulfanyl-4-pyridinyl)-1,3-thiazole?
The InChIKey is JJVGEDGQTHVFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2OS2/c1-20-14-4-3-10(7-12(14)17)13-9-22-16(19-13)11-5-6-18-15(8-11)21-2/h3-9H,1-2H3.
What are the key properties of 4-(3-fluoro-4-methoxyphenyl)-2-(2-methylsulfanyl-4-pyridinyl)-1,3-thiazole?
4-(3-fluoro-4-methoxyphenyl)-2-(2-methylsulfanyl-4-pyridinyl)-1,3-thiazole has a molecular weight of 332.43 g/mol, XLogP of 4.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-4-methoxyphenyl)-2-(2-methylsulfanyl-4-pyridinyl)-1,3-thiazole is sourced from PubChem (CID 103597527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).