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

C10H13Cl2N3O2S — CID 25117297

IUPAC2-[3-(1H-imidazol-5-ylmethylamino)thiophen-2-yl]acetic acid;dihydrochloride
SMILESCl.Cl.O=C(O)Cc1sccc1NCc1cnc[nH]1
InChIInChI=1S/C10H11N3O2S.2ClH/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);2*1H
InChIKeyUBRYZPNHRMGTSG-UHFFFAOYSA-N
MW310.21 g/mol
LogP2.55
Rot. Bonds5

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

2-[3-(1H-imidazol-5-ylmethylamino)thiophen-2-yl]acetic acid;dihydrochloride (PubChem CID 25117297) has the molecular formula C10H13Cl2N3O2S and a molecular weight of 310.21 g/mol. Its IUPAC name is 2-[3-(1H-imidazol-5-ylmethylamino)thiophen-2-yl]acetic acid;dihydrochloride.

Molecular Properties

Compound Name2-[3-(1H-imidazol-5-ylmethylamino)thiophen-2-yl]acetic acid;dihydrochloride
PubChem CID25117297
Molecular FormulaC10H13Cl2N3O2S
Molecular Weight310.21 g/mol
Exact Mass309.01
IUPAC Name2-[3-(1H-imidazol-5-ylmethylamino)thiophen-2-yl]acetic acid;dihydrochloride
SMILESCl.Cl.O=C(O)Cc1sccc1NCc1cnc[nH]1
InChIInChI=1S/C10H11N3O2S.2ClH/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);2*1H
InChIKeyUBRYZPNHRMGTSG-UHFFFAOYSA-N
XLogP2.55
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.21
LogP ≤ 52.55
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;dihydrochloride?
The IUPAC name of 2-[3-(1H-imidazol-5-ylmethylamino)thiophen-2-yl]acetic acid;dihydrochloride (CID 25117297) is 2-[3-(1H-imidazol-5-ylmethylamino)thiophen-2-yl]acetic acid;dihydrochloride.
What is the SMILES notation for 2-[3-(1H-imidazol-5-ylmethylamino)thiophen-2-yl]acetic acid;dihydrochloride?
The canonical SMILES for 2-[3-(1H-imidazol-5-ylmethylamino)thiophen-2-yl]acetic acid;dihydrochloride is Cl.Cl.O=C(O)Cc1sccc1NCc1cnc[nH]1.
What is the InChIKey of 2-[3-(1H-imidazol-5-ylmethylamino)thiophen-2-yl]acetic acid;dihydrochloride?
The InChIKey is UBRYZPNHRMGTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S.2ClH/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);2*1H.
What are the key properties of 2-[3-(1H-imidazol-5-ylmethylamino)thiophen-2-yl]acetic acid;dihydrochloride?
2-[3-(1H-imidazol-5-ylmethylamino)thiophen-2-yl]acetic acid;dihydrochloride has a molecular weight of 310.21 g/mol, XLogP of 2.55, 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;dihydrochloride is sourced from PubChem (CID 25117297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).