1-(4-methylphenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylethanone

C15H12N2OS2 — CID 34256425

IUPAC1-(4-methylphenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylethanone
SMILESCc1ccc(C(=O)CSc2ncnc3ccsc23)cc1
InChIInChI=1S/C15H12N2OS2/c1-10-2-4-11(5-3-10)13(18)8-20-15-14-12(6-7-19-14)16-9-17-15/h2-7,9H,8H2,1H3
InChIKeyUDECMZOMALIPBD-UHFFFAOYSA-N
MW300.41 g/mol
LogP3.97
Rot. Bonds4

About 1-(4-methylphenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylethanone

1-(4-methylphenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylethanone (PubChem CID 34256425) has the molecular formula C15H12N2OS2 and a molecular weight of 300.41 g/mol. Its IUPAC name is 1-(4-methylphenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylethanone.

Molecular Properties

Compound Name1-(4-methylphenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylethanone
PubChem CID34256425
Molecular FormulaC15H12N2OS2
Molecular Weight300.41 g/mol
Exact Mass300.04
IUPAC Name1-(4-methylphenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylethanone
SMILESCc1ccc(C(=O)CSc2ncnc3ccsc23)cc1
InChIInChI=1S/C15H12N2OS2/c1-10-2-4-11(5-3-10)13(18)8-20-15-14-12(6-7-19-14)16-9-17-15/h2-7,9H,8H2,1H3
InChIKeyUDECMZOMALIPBD-UHFFFAOYSA-N
XLogP3.97
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-dimethylphenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylethanone
CID 18123998
1-(4-methylsulfonylphenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylethanone
CID 18123886
[4-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)phenyl]urea
CID 34111095
2-methyl-N-[4-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)phenyl]propanamide
CID 34253042
1-[4-(difluoromethoxy)phenyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylethanone
CID 34245392
2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetic acid
CID 43236106
methyl 2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetate
CID 2808870
1-(1,3-benzodioxol-5-yl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylethanone
CID 51280422
N-(3-methylbutan-2-yl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide
CID 46661730
methyl 2,4-dimethyl-5-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)-1H-pyrrole-3-carboxylate
CID 17423377
methyl 4-methyl-3-[(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)amino]benzoate
CID 34247171
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(4-methylphenyl)ethanone
CID 2908327

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylethanone?
The IUPAC name of 1-(4-methylphenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylethanone (CID 34256425) is 1-(4-methylphenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylethanone.
What is the SMILES notation for 1-(4-methylphenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylethanone?
The canonical SMILES for 1-(4-methylphenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylethanone is Cc1ccc(C(=O)CSc2ncnc3ccsc23)cc1.
What is the InChIKey of 1-(4-methylphenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylethanone?
The InChIKey is UDECMZOMALIPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2OS2/c1-10-2-4-11(5-3-10)13(18)8-20-15-14-12(6-7-19-14)16-9-17-15/h2-7,9H,8H2,1H3.
What are the key properties of 1-(4-methylphenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylethanone?
1-(4-methylphenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylethanone has a molecular weight of 300.41 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylethanone is sourced from PubChem (CID 34256425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).