2-(5-carbamimidoylthiophen-2-yl)acetic acid

C7H8N2O2S — CID 21441146

IUPAC2-(5-carbamimidoylthiophen-2-yl)acetic acid
SMILES[H]/N=C(\N)c1ccc(CC(=O)O)s1
InChIInChI=1S/C7H8N2O2S/c8-7(9)5-2-1-4(12-5)3-6(10)11/h1-2H,3H2,(H3,8,9)(H,10,11)
InChIKeyVKGMFELANDIXHI-UHFFFAOYSA-N
MW184.22 g/mol
LogP0.66
Rot. Bonds3

About 2-(5-carbamimidoylthiophen-2-yl)acetic acid

2-(5-carbamimidoylthiophen-2-yl)acetic acid (PubChem CID 21441146) has the molecular formula C7H8N2O2S and a molecular weight of 184.22 g/mol. Its IUPAC name is 2-(5-carbamimidoylthiophen-2-yl)acetic acid.

Molecular Properties

Compound Name2-(5-carbamimidoylthiophen-2-yl)acetic acid
PubChem CID21441146
Molecular FormulaC7H8N2O2S
Molecular Weight184.22 g/mol
Exact Mass184.03
IUPAC Name2-(5-carbamimidoylthiophen-2-yl)acetic acid
SMILES[H]/N=C(\N)c1ccc(CC(=O)O)s1
InChIInChI=1S/C7H8N2O2S/c8-7(9)5-2-1-4(12-5)3-6(10)11/h1-2H,3H2,(H3,8,9)(H,10,11)
InChIKeyVKGMFELANDIXHI-UHFFFAOYSA-N
XLogP0.66
TPSA87.17 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.22
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(5-carbamimidoylthiophen-2-yl)acetyl chloride;hydrochloride
CID 88817367
(5-carbamimidoylthiophen-2-yl)methanesulfinate
CID 174434712
5-(methylaminomethyl)thiophene-2-carboximidamide
CID 59098892
2-(5-benzoylthiophen-2-yl)acetic acid
CID 3751763
2-[5-[5-[5-(carboxymethyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]acetic acid
CID 67286373
2-[5-(hydroxymethyl)thiophen-2-yl]acetic acid
CID 82885627
5-fluorothiophene-2-carboximidamide
CID 55285122
5-bromothiophene-2-carboximidamide;hydrochloride
CID 44607693
5-methylthiophene-2-carboximidamide;hydrochloride
CID 52988386
2-[5-[[(2-amino-2-oxoethyl)amino]methyl]thiophen-2-yl]acetic acid
CID 82894390
2-[5-(N-hydroxy-C-thiophen-2-ylcarbonimidoyl)thiophen-2-yl]acetic acid
CID 6614337
2-[5-(2-chloroacetyl)thiophen-2-yl]acetamide
CID 4962460

Frequently Asked Questions

What is the IUPAC name of 2-(5-carbamimidoylthiophen-2-yl)acetic acid?
The IUPAC name of 2-(5-carbamimidoylthiophen-2-yl)acetic acid (CID 21441146) is 2-(5-carbamimidoylthiophen-2-yl)acetic acid.
What is the SMILES notation for 2-(5-carbamimidoylthiophen-2-yl)acetic acid?
The canonical SMILES for 2-(5-carbamimidoylthiophen-2-yl)acetic acid is [H]/N=C(\N)c1ccc(CC(=O)O)s1.
What is the InChIKey of 2-(5-carbamimidoylthiophen-2-yl)acetic acid?
The InChIKey is VKGMFELANDIXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2S/c8-7(9)5-2-1-4(12-5)3-6(10)11/h1-2H,3H2,(H3,8,9)(H,10,11).
What are the key properties of 2-(5-carbamimidoylthiophen-2-yl)acetic acid?
2-(5-carbamimidoylthiophen-2-yl)acetic acid has a molecular weight of 184.22 g/mol, XLogP of 0.66, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-carbamimidoylthiophen-2-yl)acetic acid is sourced from PubChem (CID 21441146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).