1-[3-(thieno[3,2-d]pyrimidin-4-ylamino)phenyl]ethanone

C14H11N3OS — CID 17422025

IUPAC1-[3-(thieno[3,2-d]pyrimidin-4-ylamino)phenyl]ethanone
SMILESCC(=O)c1cccc(Nc2ncnc3ccsc23)c1
InChIInChI=1S/C14H11N3OS/c1-9(18)10-3-2-4-11(7-10)17-14-13-12(5-6-19-13)15-8-16-14/h2-8H,1H3,(H,15,16,17)
InChIKeyYGRCEVYBHACGKC-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.64
Rot. Bonds3

About 1-[3-(thieno[3,2-d]pyrimidin-4-ylamino)phenyl]ethanone

1-[3-(thieno[3,2-d]pyrimidin-4-ylamino)phenyl]ethanone (PubChem CID 17422025) has the molecular formula C14H11N3OS and a molecular weight of 269.33 g/mol. Its IUPAC name is 1-[3-(thieno[3,2-d]pyrimidin-4-ylamino)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-(thieno[3,2-d]pyrimidin-4-ylamino)phenyl]ethanone
PubChem CID17422025
Molecular FormulaC14H11N3OS
Molecular Weight269.33 g/mol
Exact Mass269.06
IUPAC Name1-[3-(thieno[3,2-d]pyrimidin-4-ylamino)phenyl]ethanone
SMILESCC(=O)c1cccc(Nc2ncnc3ccsc23)c1
InChIInChI=1S/C14H11N3OS/c1-9(18)10-3-2-4-11(7-10)17-14-13-12(5-6-19-13)15-8-16-14/h2-8H,1H3,(H,15,16,17)
InChIKeyYGRCEVYBHACGKC-UHFFFAOYSA-N
XLogP3.64
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[3-(thieno[3,2-d]pyrimidin-4-ylamino)phenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(thieno[3,2-d]pyrimidin-4-ylamino)benzaldehyde
CID 167084503
1-[3-(8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-ylamino)phenyl]ethanone
CID 110435109
N-[3-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidin-4-amine
CID 170560489
1-[3-[(6-ethylquinazolin-4-yl)amino]phenyl]ethanone
CID 21002622
1-[3-[[5-amino-6-(2-phenylhydrazinyl)pyrimidin-4-yl]amino]phenyl]ethanone
CID 22547424
1-[3-[(8-bromoquinazolin-4-yl)amino]phenyl]ethanone
CID 110434526
1-[3-[(11,13-dimethyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl)amino]phenyl]ethanone
CID 110435071
1-[3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]ethanone
CID 21011274
N-(2-methoxy-4-pyridinyl)thieno[3,2-d]pyrimidin-4-amine
CID 155595848
N-(3,4-dimethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine;hydrochloride
CID 57422578
1-[3-[[6-(methylamino)-5-nitropyrimidin-4-yl]amino]phenyl]ethanone
CID 23486043
1-(3-acetylphenyl)-3-[4-(3-methoxyanilino)quinazolin-6-yl]urea
CID 44569443

Frequently Asked Questions

What is the IUPAC name of 1-[3-(thieno[3,2-d]pyrimidin-4-ylamino)phenyl]ethanone?
The IUPAC name of 1-[3-(thieno[3,2-d]pyrimidin-4-ylamino)phenyl]ethanone (CID 17422025) is 1-[3-(thieno[3,2-d]pyrimidin-4-ylamino)phenyl]ethanone.
What is the SMILES notation for 1-[3-(thieno[3,2-d]pyrimidin-4-ylamino)phenyl]ethanone?
The canonical SMILES for 1-[3-(thieno[3,2-d]pyrimidin-4-ylamino)phenyl]ethanone is CC(=O)c1cccc(Nc2ncnc3ccsc23)c1.
What is the InChIKey of 1-[3-(thieno[3,2-d]pyrimidin-4-ylamino)phenyl]ethanone?
The InChIKey is YGRCEVYBHACGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3OS/c1-9(18)10-3-2-4-11(7-10)17-14-13-12(5-6-19-13)15-8-16-14/h2-8H,1H3,(H,15,16,17).
What are the key properties of 1-[3-(thieno[3,2-d]pyrimidin-4-ylamino)phenyl]ethanone?
1-[3-(thieno[3,2-d]pyrimidin-4-ylamino)phenyl]ethanone has a molecular weight of 269.33 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(thieno[3,2-d]pyrimidin-4-ylamino)phenyl]ethanone is sourced from PubChem (CID 17422025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).