5-(3-fluoro-4-methoxyphenyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole

C13H9FN2OS2 — CID 46908129

IUPAC5-(3-fluoro-4-methoxyphenyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole
SMILESCOc1ccc(-c2cnc(-c3nccs3)s2)cc1F
InChIInChI=1S/C13H9FN2OS2/c1-17-10-3-2-8(6-9(10)14)11-7-16-13(19-11)12-15-4-5-18-12/h2-7H,1H3
InChIKeyTUORYPAAYHSKOW-UHFFFAOYSA-N
MW292.36 g/mol
LogP4.08
Rot. Bonds3

About 5-(3-fluoro-4-methoxyphenyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole

5-(3-fluoro-4-methoxyphenyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole (PubChem CID 46908129) has the molecular formula C13H9FN2OS2 and a molecular weight of 292.36 g/mol. Its IUPAC name is 5-(3-fluoro-4-methoxyphenyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name5-(3-fluoro-4-methoxyphenyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole
PubChem CID46908129
Molecular FormulaC13H9FN2OS2
Molecular Weight292.36 g/mol
Exact Mass292.01
IUPAC Name5-(3-fluoro-4-methoxyphenyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole
SMILESCOc1ccc(-c2cnc(-c3nccs3)s2)cc1F
InChIInChI=1S/C13H9FN2OS2/c1-17-10-3-2-8(6-9(10)14)11-7-16-13(19-11)12-15-4-5-18-12/h2-7H,1H3
InChIKeyTUORYPAAYHSKOW-UHFFFAOYSA-N
XLogP4.08
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-fluoro-4-methoxyphenyl)pyrimidine
CID 134263784
4-(3-fluoro-4-methoxyphenyl)-2-pyridin-4-yl-1,3-thiazole
CID 31263109
5-(3-fluoro-4-methoxyphenyl)pyrimidin-2-amine
CID 57445392
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
N-[[2-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 65096062
1,2-difluoro-4-(3-fluoro-4-methoxyphenyl)benzene
CID 18930756
5-fluoro-2-(3-fluoro-4-methoxyphenyl)-1,3-benzothiazole
CID 11514632
2-(3-fluoro-4-methoxyphenyl)pyridine-4-carboxylic acid
CID 53223378
N-[(3-fluoro-4-methoxyphenyl)-(1,3-thiazol-2-yl)methyl]-2-methoxyethanamine
CID 65101059
2-(3-fluoro-4-methoxyphenyl)-5-(3-fluoro-5-methoxyphenyl)thiophene
CID 44543106
[6-(3-fluoro-4-methoxyphenyl)-3-pyridinyl]methanamine
CID 83918620

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-4-methoxyphenyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole?
The IUPAC name of 5-(3-fluoro-4-methoxyphenyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole (CID 46908129) is 5-(3-fluoro-4-methoxyphenyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole.
What is the SMILES notation for 5-(3-fluoro-4-methoxyphenyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole?
The canonical SMILES for 5-(3-fluoro-4-methoxyphenyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole is COc1ccc(-c2cnc(-c3nccs3)s2)cc1F.
What is the InChIKey of 5-(3-fluoro-4-methoxyphenyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole?
The InChIKey is TUORYPAAYHSKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2OS2/c1-17-10-3-2-8(6-9(10)14)11-7-16-13(19-11)12-15-4-5-18-12/h2-7H,1H3.
What are the key properties of 5-(3-fluoro-4-methoxyphenyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole?
5-(3-fluoro-4-methoxyphenyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole has a molecular weight of 292.36 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-4-methoxyphenyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole is sourced from PubChem (CID 46908129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).