2-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide

C19H14FN3OS3 — CID 17459369

IUPAC2-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CSc1ncnc2cc(-c3ccc(F)cc3)sc12)NCc1cccs1
InChIInChI=1S/C19H14FN3OS3/c20-13-5-3-12(4-6-13)16-8-15-18(27-16)19(23-11-22-15)26-10-17(24)21-9-14-2-1-7-25-14/h1-8,11H,9-10H2,(H,21,24)
InChIKeyARUFJWUHPIKNBL-UHFFFAOYSA-N
MW415.54 g/mol
LogP4.97
Rot. Bonds6

About 2-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide

2-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 17459369) has the molecular formula C19H14FN3OS3 and a molecular weight of 415.54 g/mol. Its IUPAC name is 2-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide
PubChem CID17459369
Molecular FormulaC19H14FN3OS3
Molecular Weight415.54 g/mol
Exact Mass415.03
IUPAC Name2-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CSc1ncnc2cc(-c3ccc(F)cc3)sc12)NCc1cccs1
InChIInChI=1S/C19H14FN3OS3/c20-13-5-3-12(4-6-13)16-8-15-18(27-16)19(23-11-22-15)26-10-17(24)21-9-14-2-1-7-25-14/h1-8,11H,9-10H2,(H,21,24)
InChIKeyARUFJWUHPIKNBL-UHFFFAOYSA-N
XLogP4.97
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2S)-butan-2-yl]-2-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylacetamide
CID 7468820
4-[[2-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylacetyl]amino]-N,N-dimethylbenzamide
CID 31197030
N-benzyl-5-[[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylmethyl]-1,3,4-thiadiazole-2-carboxamide
CID 35424416
2-[bis(4-fluorophenyl)methylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide
CID 39044875
2-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanyl-1-[(2S)-2-methylpiperidin-1-yl]ethanone
CID 7468825
6-(4-fluorophenyl)-4-(3-phenoxypropylsulfanyl)thieno[3,2-d]pyrimidine
CID 7630827
2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
CID 34375365
5-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 35008485
2-[[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole
CID 31395575
2-[[5-(4-fluorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
CID 2575147
N-(4-fluorophenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide
CID 34245034
2-[6-(4-ethylphenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylacetic acid
CID 162653678

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide (CID 17459369) is 2-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide is O=C(CSc1ncnc2cc(-c3ccc(F)cc3)sc12)NCc1cccs1.
What is the InChIKey of 2-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is ARUFJWUHPIKNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3OS3/c20-13-5-3-12(4-6-13)16-8-15-18(27-16)19(23-11-22-15)26-10-17(24)21-9-14-2-1-7-25-14/h1-8,11H,9-10H2,(H,21,24).
What are the key properties of 2-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide?
2-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 415.54 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 17459369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).