4-chloro-2-(3-fluorophenyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidine

C16H8ClFN2S2 — CID 142690098

IUPAC4-chloro-2-(3-fluorophenyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidine
SMILESFc1cccc(-c2nc(Cl)c3c(-c4cccs4)csc3n2)c1
InChIInChI=1S/C16H8ClFN2S2/c17-14-13-11(12-5-2-6-21-12)8-22-16(13)20-15(19-14)9-3-1-4-10(18)7-9/h1-8H
InChIKeySQDYQBQUHAOGPX-UHFFFAOYSA-N
MW346.84 g/mol
LogP5.88
Rot. Bonds2

About 4-chloro-2-(3-fluorophenyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidine

4-chloro-2-(3-fluorophenyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidine (PubChem CID 142690098) has the molecular formula C16H8ClFN2S2 and a molecular weight of 346.84 g/mol. Its IUPAC name is 4-chloro-2-(3-fluorophenyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(3-fluorophenyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidine
PubChem CID142690098
Molecular FormulaC16H8ClFN2S2
Molecular Weight346.84 g/mol
Exact Mass345.98
IUPAC Name4-chloro-2-(3-fluorophenyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidine
SMILESFc1cccc(-c2nc(Cl)c3c(-c4cccs4)csc3n2)c1
InChIInChI=1S/C16H8ClFN2S2/c17-14-13-11(12-5-2-6-21-12)8-22-16(13)20-15(19-14)9-3-1-4-10(18)7-9/h1-8H
InChIKeySQDYQBQUHAOGPX-UHFFFAOYSA-N
XLogP5.88
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.84
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-[4-(2-piperidin-1-ylethoxy)phenyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidine
CID 142690091
2-(3-fluorophenyl)thiophene
CID 22486407
[2-(4-chlorophenyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 138857572
4-chloro-2-(2-methylpropylsulfanylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidine
CID 63537714
1-[2-(3-fluorophenyl)-6-thiophen-2-ylpyrimidin-4-yl]ethane-1,2-diol
CID 155568926
2-(3-fluorophenyl)-4,7-dithiophen-2-yl-1H-benzimidazole
CID 102497600
2-(3-bromothiophen-2-yl)-4,6-dichloro-5-(3-fluorophenyl)pyrimidine
CID 115380846
1-[[2-(4-fluorophenyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl]amino]-3-methylpyrrole-2,5-dione
CID 24898492
2-(4-chlorophenyl)-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 28868588
2-amino-6-(3-fluorophenyl)-4-thiophen-2-ylpyridine-3-carbonitrile
CID 5118720
5-bromo-4-tert-butyl-6-chloro-2-(3-fluorophenyl)pyrimidine
CID 66293992
4-piperazin-1-yl-2,5-dithiophen-2-ylthieno[2,3-d]pyrimidine;hydrochloride
CID 118721288

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3-fluorophenyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-2-(3-fluorophenyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidine (CID 142690098) is 4-chloro-2-(3-fluorophenyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-2-(3-fluorophenyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-2-(3-fluorophenyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidine is Fc1cccc(-c2nc(Cl)c3c(-c4cccs4)csc3n2)c1.
What is the InChIKey of 4-chloro-2-(3-fluorophenyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidine?
The InChIKey is SQDYQBQUHAOGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8ClFN2S2/c17-14-13-11(12-5-2-6-21-12)8-22-16(13)20-15(19-14)9-3-1-4-10(18)7-9/h1-8H.
What are the key properties of 4-chloro-2-(3-fluorophenyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidine?
4-chloro-2-(3-fluorophenyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidine has a molecular weight of 346.84 g/mol, XLogP of 5.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3-fluorophenyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 142690098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).