1-(4-bromophenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropan-1-one

C15H11BrN2OS2 — CID 18123818

IUPAC1-(4-bromophenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropan-1-one
SMILESCC(Sc1ncnc2ccsc12)C(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H11BrN2OS2/c1-9(13(19)10-2-4-11(16)5-3-10)21-15-14-12(6-7-20-14)17-8-18-15/h2-9H,1H3
InChIKeyOQEPLMSYFJGQEY-UHFFFAOYSA-N
MW379.30 g/mol
LogP4.82
Rot. Bonds4

About 1-(4-bromophenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropan-1-one

1-(4-bromophenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropan-1-one (PubChem CID 18123818) has the molecular formula C15H11BrN2OS2 and a molecular weight of 379.30 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropan-1-one.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropan-1-one
PubChem CID18123818
Molecular FormulaC15H11BrN2OS2
Molecular Weight379.30 g/mol
Exact Mass377.95
IUPAC Name1-(4-bromophenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropan-1-one
SMILESCC(Sc1ncnc2ccsc12)C(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H11BrN2OS2/c1-9(13(19)10-2-4-11(16)5-3-10)21-15-14-12(6-7-20-14)17-8-18-15/h2-9H,1H3
InChIKeyOQEPLMSYFJGQEY-UHFFFAOYSA-N
XLogP4.82
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.30
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,2-dimethyl-N-[4-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanoyl)phenyl]propanamide
CID 46666372
N-[2-[4-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanoyl)phenyl]ethyl]acetamide
CID 51111313
4-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanoylamino)benzamide
CID 51280442
N-cycloheptyl-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide
CID 18123984
(2R)-N-(phenylcarbamoyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide
CID 41045217
N-(2-ethoxyphenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide
CID 51280481
N-(2-phenylpropyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide
CID 51280457
1-(4-bromophenyl)-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)propan-1-one
CID 4837000
N-(4-ethoxyphenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide
CID 18123973
1-(4-phenylpiperazin-1-yl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropan-1-one
CID 51280487
1-(2,3-dihydroindol-1-yl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropan-1-one
CID 18123827
N-[(4-methoxyphenyl)methyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide
CID 18123797

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropan-1-one?
The IUPAC name of 1-(4-bromophenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropan-1-one (CID 18123818) is 1-(4-bromophenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropan-1-one.
What is the SMILES notation for 1-(4-bromophenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropan-1-one?
The canonical SMILES for 1-(4-bromophenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropan-1-one is CC(Sc1ncnc2ccsc12)C(=O)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropan-1-one?
The InChIKey is OQEPLMSYFJGQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2OS2/c1-9(13(19)10-2-4-11(16)5-3-10)21-15-14-12(6-7-20-14)17-8-18-15/h2-9H,1H3.
What are the key properties of 1-(4-bromophenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropan-1-one?
1-(4-bromophenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropan-1-one has a molecular weight of 379.30 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropan-1-one is sourced from PubChem (CID 18123818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).