5-[(1-imidazol-1-ylpropan-2-ylamino)methyl]thiophene-2-carboxylic acid

C12H15N3O2S — CID 103246721

IUPAC5-[(1-imidazol-1-ylpropan-2-ylamino)methyl]thiophene-2-carboxylic acid
SMILESCC(Cn1ccnc1)NCc1ccc(C(=O)O)s1
InChIInChI=1S/C12H15N3O2S/c1-9(7-15-5-4-13-8-15)14-6-10-2-3-11(18-10)12(16)17/h2-5,8-9,14H,6-7H2,1H3,(H,16,17)
InChIKeyAUOHYSQBFKOJAW-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.82
Rot. Bonds6

About 5-[(1-imidazol-1-ylpropan-2-ylamino)methyl]thiophene-2-carboxylic acid

5-[(1-imidazol-1-ylpropan-2-ylamino)methyl]thiophene-2-carboxylic acid (PubChem CID 103246721) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is 5-[(1-imidazol-1-ylpropan-2-ylamino)methyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(1-imidazol-1-ylpropan-2-ylamino)methyl]thiophene-2-carboxylic acid
PubChem CID103246721
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name5-[(1-imidazol-1-ylpropan-2-ylamino)methyl]thiophene-2-carboxylic acid
SMILESCC(Cn1ccnc1)NCc1ccc(C(=O)O)s1
InChIInChI=1S/C12H15N3O2S/c1-9(7-15-5-4-13-8-15)14-6-10-2-3-11(18-10)12(16)17/h2-5,8-9,14H,6-7H2,1H3,(H,16,17)
InChIKeyAUOHYSQBFKOJAW-UHFFFAOYSA-N
XLogP1.82
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]thiophene-2-carboxylic acid
CID 103258908
4-fluoro-3-[(1-imidazol-1-ylpropan-2-ylamino)methyl]benzoic acid
CID 107452763
4-[(1-imidazol-1-ylpropan-2-ylamino)methyl]benzamide
CID 43792002
N-(1-imidazol-1-ylpropan-2-yl)-5-methylthiophene-2-carboxamide
CID 47187508
4-[(1-imidazol-1-ylpropan-2-ylamino)methyl]phenol
CID 43435560
N-[(4-bromothiophen-2-yl)methyl]-1-imidazol-1-ylpropan-2-amine
CID 43435635
4-(1-imidazol-1-ylpropan-2-ylamino)benzoic acid
CID 62230868
5-[(heptan-2-ylamino)methyl]thiophene-2-carboxylic acid
CID 103247320
[4-[(1-imidazol-1-ylpropan-2-ylamino)methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 56718318
1-imidazol-1-yl-N-[(4-propan-2-ylphenyl)methyl]propan-2-amine
CID 43435582
2-(1-imidazol-1-ylpropan-2-ylamino)-N-propan-2-ylacetamide
CID 61482336
5-[(1-cyclopropylethylamino)methyl]thiophene-2-carboxylic acid
CID 103238535

Frequently Asked Questions

What is the IUPAC name of 5-[(1-imidazol-1-ylpropan-2-ylamino)methyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[(1-imidazol-1-ylpropan-2-ylamino)methyl]thiophene-2-carboxylic acid (CID 103246721) is 5-[(1-imidazol-1-ylpropan-2-ylamino)methyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(1-imidazol-1-ylpropan-2-ylamino)methyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[(1-imidazol-1-ylpropan-2-ylamino)methyl]thiophene-2-carboxylic acid is CC(Cn1ccnc1)NCc1ccc(C(=O)O)s1.
What is the InChIKey of 5-[(1-imidazol-1-ylpropan-2-ylamino)methyl]thiophene-2-carboxylic acid?
The InChIKey is AUOHYSQBFKOJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-9(7-15-5-4-13-8-15)14-6-10-2-3-11(18-10)12(16)17/h2-5,8-9,14H,6-7H2,1H3,(H,16,17).
What are the key properties of 5-[(1-imidazol-1-ylpropan-2-ylamino)methyl]thiophene-2-carboxylic acid?
5-[(1-imidazol-1-ylpropan-2-ylamino)methyl]thiophene-2-carboxylic acid has a molecular weight of 265.34 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-imidazol-1-ylpropan-2-ylamino)methyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 103246721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).