N-[(2-fluorophenyl)carbamoyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide

C15H11FN4O2S2 — CID 17403982

IUPACN-[(2-fluorophenyl)carbamoyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide
SMILESO=C(CSc1ncnc2ccsc12)NC(=O)Nc1ccccc1F
InChIInChI=1S/C15H11FN4O2S2/c16-9-3-1-2-4-10(9)19-15(22)20-12(21)7-24-14-13-11(5-6-23-13)17-8-18-14/h1-6,8H,7H2,(H2,19,20,21,22)
InChIKeyZFKCEOBORSHSMZ-UHFFFAOYSA-N
MW362.41 g/mol
LogP3.27
Rot. Bonds4

About N-[(2-fluorophenyl)carbamoyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide

N-[(2-fluorophenyl)carbamoyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide (PubChem CID 17403982) has the molecular formula C15H11FN4O2S2 and a molecular weight of 362.41 g/mol. Its IUPAC name is N-[(2-fluorophenyl)carbamoyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)carbamoyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide
PubChem CID17403982
Molecular FormulaC15H11FN4O2S2
Molecular Weight362.41 g/mol
Exact Mass362.03
IUPAC NameN-[(2-fluorophenyl)carbamoyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide
SMILESO=C(CSc1ncnc2ccsc12)NC(=O)Nc1ccccc1F
InChIInChI=1S/C15H11FN4O2S2/c16-9-3-1-2-4-10(9)19-15(22)20-12(21)7-24-14-13-11(5-6-23-13)17-8-18-14/h1-6,8H,7H2,(H2,19,20,21,22)
InChIKeyZFKCEOBORSHSMZ-UHFFFAOYSA-N
XLogP3.27
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)carbamoyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide?
The IUPAC name of N-[(2-fluorophenyl)carbamoyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide (CID 17403982) is N-[(2-fluorophenyl)carbamoyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide.
What is the SMILES notation for N-[(2-fluorophenyl)carbamoyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide?
The canonical SMILES for N-[(2-fluorophenyl)carbamoyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide is O=C(CSc1ncnc2ccsc12)NC(=O)Nc1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)carbamoyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide?
The InChIKey is ZFKCEOBORSHSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN4O2S2/c16-9-3-1-2-4-10(9)19-15(22)20-12(21)7-24-14-13-11(5-6-23-13)17-8-18-14/h1-6,8H,7H2,(H2,19,20,21,22).
What are the key properties of N-[(2-fluorophenyl)carbamoyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide?
N-[(2-fluorophenyl)carbamoyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide has a molecular weight of 362.41 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)carbamoyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide is sourced from PubChem (CID 17403982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).