3-(1H-imidazol-5-yl)-2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid

C18H15N5O2S — CID 82022252

IUPAC3-(1H-imidazol-5-yl)-2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid
SMILESO=C(O)C(Cc1cnc[nH]1)Nc1ncnc2scc(-c3ccccc3)c12
InChIInChI=1S/C18H15N5O2S/c24-18(25)14(6-12-7-19-9-20-12)23-16-15-13(11-4-2-1-3-5-11)8-26-17(15)22-10-21-16/h1-5,7-10,14H,6H2,(H,19,20)(H,24,25)(H,21,22,23)
InChIKeyAHJZSBGSJIAJPU-UHFFFAOYSA-N
MW365.42 g/mol
LogP3.19
Rot. Bonds6

About 3-(1H-imidazol-5-yl)-2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid

3-(1H-imidazol-5-yl)-2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid (PubChem CID 82022252) has the molecular formula C18H15N5O2S and a molecular weight of 365.42 g/mol. Its IUPAC name is 3-(1H-imidazol-5-yl)-2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid.

Molecular Properties

Compound Name3-(1H-imidazol-5-yl)-2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid
PubChem CID82022252
Molecular FormulaC18H15N5O2S
Molecular Weight365.42 g/mol
Exact Mass365.09
IUPAC Name3-(1H-imidazol-5-yl)-2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid
SMILESO=C(O)C(Cc1cnc[nH]1)Nc1ncnc2scc(-c3ccccc3)c12
InChIInChI=1S/C18H15N5O2S/c24-18(25)14(6-12-7-19-9-20-12)23-16-15-13(11-4-2-1-3-5-11)8-26-17(15)22-10-21-16/h1-5,7-10,14H,6H2,(H,19,20)(H,24,25)(H,21,22,23)
InChIKeyAHJZSBGSJIAJPU-UHFFFAOYSA-N
XLogP3.19
TPSA103.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.42
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-(1H-imidazol-5-yl)-2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid with MolForge

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Related Compounds

4-methyl-2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]pentanoic acid
CID 3151032
2-[(6-ethyl-5-naphthalen-1-ylthieno[2,3-d]pyrimidin-4-yl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 135340121
2-[[5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]butanedioic acid
CID 82022263
3-(1H-imidazol-5-yl)-2-[(2-phenylquinazolin-4-yl)amino]propanoic acid
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(2R)-2-(benzylamino)-3-(1H-imidazol-5-yl)propanoic acid
CID 22798985
(2S)-2-[[(2S)-2-amino-2-phenylacetyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 103869448
5-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol
CID 28849745
CID 162305209
CID 162305209
5-phenyl-N-prop-2-enylthieno[2,3-d]pyrimidin-4-amine
CID 3151763
(2S)-3-(1H-imidazol-5-yl)-2-(phenylcarbamoylamino)propanoic acid
CID 30052227
4-oxo-4-[2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethylamino]but-2-enoic acid
CID 2796110
CID 158288818
CID 158288818

Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-5-yl)-2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid?
The IUPAC name of 3-(1H-imidazol-5-yl)-2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid (CID 82022252) is 3-(1H-imidazol-5-yl)-2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid.
What is the SMILES notation for 3-(1H-imidazol-5-yl)-2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid?
The canonical SMILES for 3-(1H-imidazol-5-yl)-2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid is O=C(O)C(Cc1cnc[nH]1)Nc1ncnc2scc(-c3ccccc3)c12.
What is the InChIKey of 3-(1H-imidazol-5-yl)-2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid?
The InChIKey is AHJZSBGSJIAJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2S/c24-18(25)14(6-12-7-19-9-20-12)23-16-15-13(11-4-2-1-3-5-11)8-26-17(15)22-10-21-16/h1-5,7-10,14H,6H2,(H,19,20)(H,24,25)(H,21,22,23).
What are the key properties of 3-(1H-imidazol-5-yl)-2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid?
3-(1H-imidazol-5-yl)-2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid has a molecular weight of 365.42 g/mol, XLogP of 3.19, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-5-yl)-2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid is sourced from PubChem (CID 82022252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).