2-[3-(1H-imidazol-5-ylmethylamino)thiophen-2-yl]acetic acid

C10H11N3O2S — CID 25117298

IUPAC2-[3-(1H-imidazol-5-ylmethylamino)thiophen-2-yl]acetic acid
SMILESO=C(O)Cc1sccc1NCc1cnc[nH]1
InChIInChI=1S/C10H11N3O2S/c14-10(15)3-9-8(1-2-16-9)12-5-7-4-11-6-13-7/h1-2,4,6,12H,3,5H2,(H,11,13)(H,14,15)
InChIKeyRIZQWAFNMXXSSM-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.71
Rot. Bonds5

About 2-[3-(1H-imidazol-5-ylmethylamino)thiophen-2-yl]acetic acid

2-[3-(1H-imidazol-5-ylmethylamino)thiophen-2-yl]acetic acid (PubChem CID 25117298) has the molecular formula C10H11N3O2S and a molecular weight of 237.28 g/mol. Its IUPAC name is 2-[3-(1H-imidazol-5-ylmethylamino)thiophen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(1H-imidazol-5-ylmethylamino)thiophen-2-yl]acetic acid
PubChem CID25117298
Molecular FormulaC10H11N3O2S
Molecular Weight237.28 g/mol
Exact Mass237.06
IUPAC Name2-[3-(1H-imidazol-5-ylmethylamino)thiophen-2-yl]acetic acid
SMILESO=C(O)Cc1sccc1NCc1cnc[nH]1
InChIInChI=1S/C10H11N3O2S/c14-10(15)3-9-8(1-2-16-9)12-5-7-4-11-6-13-7/h1-2,4,6,12H,3,5H2,(H,11,13)(H,14,15)
InChIKeyRIZQWAFNMXXSSM-UHFFFAOYSA-N
XLogP1.71
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(1H-imidazol-5-ylmethylamino)thiophen-2-yl]acetic acid?
The IUPAC name of 2-[3-(1H-imidazol-5-ylmethylamino)thiophen-2-yl]acetic acid (CID 25117298) is 2-[3-(1H-imidazol-5-ylmethylamino)thiophen-2-yl]acetic acid.
What is the SMILES notation for 2-[3-(1H-imidazol-5-ylmethylamino)thiophen-2-yl]acetic acid?
The canonical SMILES for 2-[3-(1H-imidazol-5-ylmethylamino)thiophen-2-yl]acetic acid is O=C(O)Cc1sccc1NCc1cnc[nH]1.
What is the InChIKey of 2-[3-(1H-imidazol-5-ylmethylamino)thiophen-2-yl]acetic acid?
The InChIKey is RIZQWAFNMXXSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S/c14-10(15)3-9-8(1-2-16-9)12-5-7-4-11-6-13-7/h1-2,4,6,12H,3,5H2,(H,11,13)(H,14,15).
What are the key properties of 2-[3-(1H-imidazol-5-ylmethylamino)thiophen-2-yl]acetic acid?
2-[3-(1H-imidazol-5-ylmethylamino)thiophen-2-yl]acetic acid has a molecular weight of 237.28 g/mol, XLogP of 1.71, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1H-imidazol-5-ylmethylamino)thiophen-2-yl]acetic acid is sourced from PubChem (CID 25117298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).