2-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-4-thiophen-2-yl-1,3-thiazole

C17H11FN2OS3 — CID 46245962

IUPAC2-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-4-thiophen-2-yl-1,3-thiazole
SMILESCOc1ccc(-c2csc(-c3nc(-c4cccs4)cs3)n2)cc1F
InChIInChI=1S/C17H11FN2OS3/c1-21-14-5-4-10(7-11(14)18)12-8-23-16(19-12)17-20-13(9-24-17)15-3-2-6-22-15/h2-9H,1H3
InChIKeyAQXGKJNFNAVUGG-UHFFFAOYSA-N
MW374.49 g/mol
LogP5.81
Rot. Bonds4

About 2-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-4-thiophen-2-yl-1,3-thiazole

2-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-4-thiophen-2-yl-1,3-thiazole (PubChem CID 46245962) has the molecular formula C17H11FN2OS3 and a molecular weight of 374.49 g/mol. Its IUPAC name is 2-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-4-thiophen-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-4-thiophen-2-yl-1,3-thiazole
PubChem CID46245962
Molecular FormulaC17H11FN2OS3
Molecular Weight374.49 g/mol
Exact Mass374.00
IUPAC Name2-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-4-thiophen-2-yl-1,3-thiazole
SMILESCOc1ccc(-c2csc(-c3nc(-c4cccs4)cs3)n2)cc1F
InChIInChI=1S/C17H11FN2OS3/c1-21-14-5-4-10(7-11(14)18)12-8-23-16(19-12)17-20-13(9-24-17)15-3-2-6-22-15/h2-9H,1H3
InChIKeyAQXGKJNFNAVUGG-UHFFFAOYSA-N
XLogP5.81
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.49
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-4-thiophen-2-yl-1,3-thiazole with MolForge

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Related Compounds

4-(3-fluoro-4-methoxyphenyl)-2-pyridin-4-yl-1,3-thiazole
CID 31263109
2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-thiophen-2-yl-1,3-thiazole
CID 11726073
4-(3-fluoro-4-methoxyphenyl)-2-(2-methylsulfanyl-4-pyridinyl)-1,3-thiazole
CID 103597527
5-(3-fluoro-4-methoxyphenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine
CID 62920733
4-(3-fluoro-4-methoxyphenyl)-2-propan-2-yl-1,3-thiazole
CID 59333191
2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(3,4-dimethoxyphenyl)-1,3-thiazole
CID 46339236
2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(4-methylphenyl)-1,3-thiazole
CID 46339235
4-(3-fluoro-4-methoxyphenyl)-1,3-thiazole-2-carbothioamide
CID 73253852
1-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 4613320
N-[3-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide
CID 9173855
2-(3,4-dimethoxyphenyl)-4-phenyl-1,3-thiazole
CID 1147052
2-pyridin-4-yl-4-thiophen-2-yl-1,3-thiazole
CID 100596517

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-4-thiophen-2-yl-1,3-thiazole?
The IUPAC name of 2-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-4-thiophen-2-yl-1,3-thiazole (CID 46245962) is 2-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-4-thiophen-2-yl-1,3-thiazole.
What is the SMILES notation for 2-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-4-thiophen-2-yl-1,3-thiazole?
The canonical SMILES for 2-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-4-thiophen-2-yl-1,3-thiazole is COc1ccc(-c2csc(-c3nc(-c4cccs4)cs3)n2)cc1F.
What is the InChIKey of 2-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-4-thiophen-2-yl-1,3-thiazole?
The InChIKey is AQXGKJNFNAVUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN2OS3/c1-21-14-5-4-10(7-11(14)18)12-8-23-16(19-12)17-20-13(9-24-17)15-3-2-6-22-15/h2-9H,1H3.
What are the key properties of 2-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-4-thiophen-2-yl-1,3-thiazole?
2-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-4-thiophen-2-yl-1,3-thiazole has a molecular weight of 374.49 g/mol, XLogP of 5.81, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-4-thiophen-2-yl-1,3-thiazole is sourced from PubChem (CID 46245962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).