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

C16H14FN3OS2 — CID 18123856

IUPACN-[(4-fluorophenyl)methyl]-N-methyl-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide
SMILESCN(Cc1ccc(F)cc1)C(=O)CSc1ncnc2ccsc12
InChIInChI=1S/C16H14FN3OS2/c1-20(8-11-2-4-12(17)5-3-11)14(21)9-23-16-15-13(6-7-22-15)18-10-19-16/h2-7,10H,8-9H2,1H3
InChIKeyMNQHLCIDIZRXLV-UHFFFAOYSA-N
MW347.44 g/mol
LogP3.58
Rot. Bonds5

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

N-[(4-fluorophenyl)methyl]-N-methyl-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide (PubChem CID 18123856) has the molecular formula C16H14FN3OS2 and a molecular weight of 347.44 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-methyl-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-methyl-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide
PubChem CID18123856
Molecular FormulaC16H14FN3OS2
Molecular Weight347.44 g/mol
Exact Mass347.06
IUPAC NameN-[(4-fluorophenyl)methyl]-N-methyl-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide
SMILESCN(Cc1ccc(F)cc1)C(=O)CSc1ncnc2ccsc12
InChIInChI=1S/C16H14FN3OS2/c1-20(8-11-2-4-12(17)5-3-11)14(21)9-23-16-15-13(6-7-22-15)18-10-19-16/h2-7,10H,8-9H2,1H3
InChIKeyMNQHLCIDIZRXLV-UHFFFAOYSA-N
XLogP3.58
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyanoethyl)-N-methyl-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide
CID 34246658
N-tert-butyl-2-[methyl-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)amino]acetamide
CID 34254461
N-(4-fluorophenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide
CID 34245034
2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetic acid
CID 43236106
methyl 2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetate
CID 2808870
N-[(4-fluorophenyl)methyl]-N-methyl-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 16541521
1-(4-methylphenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylethanone
CID 34256425
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide
CID 24585178
N-(3-methylbutan-2-yl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide
CID 46661730
1-(3,4-dimethylphenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylethanone
CID 18123998
N-[2-(4-methoxyphenyl)ethyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide
CID 46661845
1-(4-methylsulfonylphenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylethanone
CID 18123886

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide (CID 18123856) is N-[(4-fluorophenyl)methyl]-N-methyl-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-methyl-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-methyl-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide is CN(Cc1ccc(F)cc1)C(=O)CSc1ncnc2ccsc12.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-methyl-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide?
The InChIKey is MNQHLCIDIZRXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3OS2/c1-20(8-11-2-4-12(17)5-3-11)14(21)9-23-16-15-13(6-7-22-15)18-10-19-16/h2-7,10H,8-9H2,1H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-methyl-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide?
N-[(4-fluorophenyl)methyl]-N-methyl-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide has a molecular weight of 347.44 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-methyl-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide is sourced from PubChem (CID 18123856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).