4-(3,4-difluorophenyl)-2-(5-thiophen-2-ylthiophen-2-yl)-1,3-thiazole

C17H9F2NS3 — CID 2741011

IUPAC4-(3,4-difluorophenyl)-2-(5-thiophen-2-ylthiophen-2-yl)-1,3-thiazole
SMILESFc1ccc(-c2csc(-c3ccc(-c4cccs4)s3)n2)cc1F
InChIInChI=1S/C17H9F2NS3/c18-11-4-3-10(8-12(11)19)13-9-22-17(20-13)16-6-5-15(23-16)14-2-1-7-21-14/h1-9H
InChIKeyMONFQDYSAJPFHU-UHFFFAOYSA-N
MW361.46 g/mol
LogP6.55
Rot. Bonds3

About 4-(3,4-difluorophenyl)-2-(5-thiophen-2-ylthiophen-2-yl)-1,3-thiazole

4-(3,4-difluorophenyl)-2-(5-thiophen-2-ylthiophen-2-yl)-1,3-thiazole (PubChem CID 2741011) has the molecular formula C17H9F2NS3 and a molecular weight of 361.46 g/mol. Its IUPAC name is 4-(3,4-difluorophenyl)-2-(5-thiophen-2-ylthiophen-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(3,4-difluorophenyl)-2-(5-thiophen-2-ylthiophen-2-yl)-1,3-thiazole
PubChem CID2741011
Molecular FormulaC17H9F2NS3
Molecular Weight361.46 g/mol
Exact Mass360.99
IUPAC Name4-(3,4-difluorophenyl)-2-(5-thiophen-2-ylthiophen-2-yl)-1,3-thiazole
SMILESFc1ccc(-c2csc(-c3ccc(-c4cccs4)s3)n2)cc1F
InChIInChI=1S/C17H9F2NS3/c18-11-4-3-10(8-12(11)19)13-9-22-17(20-13)16-6-5-15(23-16)14-2-1-7-21-14/h1-9H
InChIKeyMONFQDYSAJPFHU-UHFFFAOYSA-N
XLogP6.55
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.46
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenyl)-2-(5-thiophen-2-ylthiophen-2-yl)-1,3-thiazole?
The IUPAC name of 4-(3,4-difluorophenyl)-2-(5-thiophen-2-ylthiophen-2-yl)-1,3-thiazole (CID 2741011) is 4-(3,4-difluorophenyl)-2-(5-thiophen-2-ylthiophen-2-yl)-1,3-thiazole.
What is the SMILES notation for 4-(3,4-difluorophenyl)-2-(5-thiophen-2-ylthiophen-2-yl)-1,3-thiazole?
The canonical SMILES for 4-(3,4-difluorophenyl)-2-(5-thiophen-2-ylthiophen-2-yl)-1,3-thiazole is Fc1ccc(-c2csc(-c3ccc(-c4cccs4)s3)n2)cc1F.
What is the InChIKey of 4-(3,4-difluorophenyl)-2-(5-thiophen-2-ylthiophen-2-yl)-1,3-thiazole?
The InChIKey is MONFQDYSAJPFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9F2NS3/c18-11-4-3-10(8-12(11)19)13-9-22-17(20-13)16-6-5-15(23-16)14-2-1-7-21-14/h1-9H.
What are the key properties of 4-(3,4-difluorophenyl)-2-(5-thiophen-2-ylthiophen-2-yl)-1,3-thiazole?
4-(3,4-difluorophenyl)-2-(5-thiophen-2-ylthiophen-2-yl)-1,3-thiazole has a molecular weight of 361.46 g/mol, XLogP of 6.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenyl)-2-(5-thiophen-2-ylthiophen-2-yl)-1,3-thiazole is sourced from PubChem (CID 2741011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).