3-amino-5-(3-imidazol-1-ylpropylamino)thiophene-2-carboxamide

C11H15N5OS — CID 103426808

IUPAC3-amino-5-(3-imidazol-1-ylpropylamino)thiophene-2-carboxamide
SMILESNC(=O)c1sc(NCCCn2ccnc2)cc1N
InChIInChI=1S/C11H15N5OS/c12-8-6-9(18-10(8)11(13)17)15-2-1-4-16-5-3-14-7-16/h3,5-7,15H,1-2,4,12H2,(H2,13,17)
InChIKeySXKYJCPJYDLSRG-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.13
Rot. Bonds6

About 3-amino-5-(3-imidazol-1-ylpropylamino)thiophene-2-carboxamide

3-amino-5-(3-imidazol-1-ylpropylamino)thiophene-2-carboxamide (PubChem CID 103426808) has the molecular formula C11H15N5OS and a molecular weight of 265.34 g/mol. Its IUPAC name is 3-amino-5-(3-imidazol-1-ylpropylamino)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-(3-imidazol-1-ylpropylamino)thiophene-2-carboxamide
PubChem CID103426808
Molecular FormulaC11H15N5OS
Molecular Weight265.34 g/mol
Exact Mass265.10
IUPAC Name3-amino-5-(3-imidazol-1-ylpropylamino)thiophene-2-carboxamide
SMILESNC(=O)c1sc(NCCCn2ccnc2)cc1N
InChIInChI=1S/C11H15N5OS/c12-8-6-9(18-10(8)11(13)17)15-2-1-4-16-5-3-14-7-16/h3,5-7,15H,1-2,4,12H2,(H2,13,17)
InChIKeySXKYJCPJYDLSRG-UHFFFAOYSA-N
XLogP1.13
TPSA98.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-(3-imidazol-1-ylpropylamino)pyridine-3-carboxamide
CID 61357424
4-amino-3-(3-imidazol-1-ylpropylamino)benzoic acid
CID 82784816
3-imidazol-1-ylpropylurea
CID 22179621
5-acetyl-4-amino-2-(3-imidazol-1-ylpropylamino)thiophene-3-carbonitrile
CID 103426816
N-(3-imidazol-1-ylpropyl)thiophen-2-amine
CID 91018147
5-bromo-N-(3-imidazol-1-ylpropyl)-1,3,4-thiadiazol-2-amine
CID 64623662
3-amino-4-(3-imidazol-1-ylpropylamino)-N,N-dimethylbenzamide
CID 82992923
4-N,6-N-bis(3-imidazol-1-ylpropyl)pyrimidine-4,5,6-triamine
CID 19154189
methyl 5-amino-2-(3-imidazol-1-ylpropylamino)benzoate
CID 61306233
3-amino-N-(3-imidazol-1-ylpropyl)-3-methylbutanamide
CID 64686152
2-amino-5-hydroxy-N-(4-imidazol-1-ylbutyl)benzamide
CID 107075037
3-(2-aminophenyl)-N-(3-imidazol-1-ylpropyl)propanamide
CID 43309055

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(3-imidazol-1-ylpropylamino)thiophene-2-carboxamide?
The IUPAC name of 3-amino-5-(3-imidazol-1-ylpropylamino)thiophene-2-carboxamide (CID 103426808) is 3-amino-5-(3-imidazol-1-ylpropylamino)thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-(3-imidazol-1-ylpropylamino)thiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-(3-imidazol-1-ylpropylamino)thiophene-2-carboxamide is NC(=O)c1sc(NCCCn2ccnc2)cc1N.
What is the InChIKey of 3-amino-5-(3-imidazol-1-ylpropylamino)thiophene-2-carboxamide?
The InChIKey is SXKYJCPJYDLSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5OS/c12-8-6-9(18-10(8)11(13)17)15-2-1-4-16-5-3-14-7-16/h3,5-7,15H,1-2,4,12H2,(H2,13,17).
What are the key properties of 3-amino-5-(3-imidazol-1-ylpropylamino)thiophene-2-carboxamide?
3-amino-5-(3-imidazol-1-ylpropylamino)thiophene-2-carboxamide has a molecular weight of 265.34 g/mol, XLogP of 1.13, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(3-imidazol-1-ylpropylamino)thiophene-2-carboxamide is sourced from PubChem (CID 103426808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).