N-(2,5-difluorophenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide

C14H9F2N3OS2 — CID 34246204

IUPACN-(2,5-difluorophenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide
SMILESO=C(CSc1ncnc2ccsc12)Nc1cc(F)ccc1F
InChIInChI=1S/C14H9F2N3OS2/c15-8-1-2-9(16)11(5-8)19-12(20)6-22-14-13-10(3-4-21-13)17-7-18-14/h1-5,7H,6H2,(H,19,20)
InChIKeyKEQUEZBIFGWFPR-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.70
Rot. Bonds4

About N-(2,5-difluorophenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide

N-(2,5-difluorophenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide (PubChem CID 34246204) has the molecular formula C14H9F2N3OS2 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide
PubChem CID34246204
Molecular FormulaC14H9F2N3OS2
Molecular Weight337.38 g/mol
Exact Mass337.02
IUPAC NameN-(2,5-difluorophenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide
SMILESO=C(CSc1ncnc2ccsc12)Nc1cc(F)ccc1F
InChIInChI=1S/C14H9F2N3OS2/c15-8-1-2-9(16)11(5-8)19-12(20)6-22-14-13-10(3-4-21-13)17-7-18-14/h1-5,7H,6H2,(H,19,20)
InChIKeyKEQUEZBIFGWFPR-UHFFFAOYSA-N
XLogP3.70
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2,5-difluorophenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Phenyl-3-[5-(2-{thieno[3,2-d]pyrimidin-4-ylamino}ethyl)-1,3-thiazol-2-yl]urea
CID 25138107
1-(3-Fluorophenyl)-3-[5-(2-{thieno[3,2-d]pyrimidin-4-ylamino}ethyl)-1,3-thiazol-2-yl]urea
CID 25138112
1-Cyclohexyl-3-[5-(2-{thieno[3,2-d]pyrimidin-4-ylamino}ethyl)-1,3-thiazol-2-yl]urea
CID 25138118
2-[5-(2-{thieno[3,2-d]pyrimidin-4-ylamino}ethyl)-1,3-thiazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 25138106
N-(3-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 2466324
N-phenyl-2-thiopheno[3,2-e]pyrimidin-4-ylthioacetamide
CID 4148380
2-(1,3-benzothiazol-2-ylsulfanyl)-N-pyrimidin-2-ylacetamide
CID 665184
2-(Benzothiazol-2-ylmethylthio)-4-methylpyrimidine
CID 2379682
1-Methyl-1-phenyl-3-[5-(2-{thieno[3,2-d]pyrimidin-4-ylamino}ethyl)-1,3-thiazol-2-yl]urea
CID 25138108
N-(1,3-benzothiazol-2-yl)-2-(pyridin-2-ylsulfanyl)acetamide
CID 828855
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4,6-dimethylpyrimidin-2-yl)acetamide
CID 2396236
2-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 2495922

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide?
The IUPAC name of N-(2,5-difluorophenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide (CID 34246204) is N-(2,5-difluorophenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide?
The canonical SMILES for N-(2,5-difluorophenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide is O=C(CSc1ncnc2ccsc12)Nc1cc(F)ccc1F.
What is the InChIKey of N-(2,5-difluorophenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide?
The InChIKey is KEQUEZBIFGWFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2N3OS2/c15-8-1-2-9(16)11(5-8)19-12(20)6-22-14-13-10(3-4-21-13)17-7-18-14/h1-5,7H,6H2,(H,19,20).
What are the key properties of N-(2,5-difluorophenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide?
N-(2,5-difluorophenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide has a molecular weight of 337.38 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide is sourced from PubChem (CID 34246204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).