5-[[2-(1H-imidazol-5-yl)ethylamino]methyl]thiophene-3-carboxamide

C11H14N4OS — CID 79614136

IUPAC5-[[2-(1H-imidazol-5-yl)ethylamino]methyl]thiophene-3-carboxamide
SMILESNC(=O)c1csc(CNCCc2cnc[nH]2)c1
InChIInChI=1S/C11H14N4OS/c12-11(16)8-3-10(17-6-8)5-13-2-1-9-4-14-7-15-9/h3-4,6-7,13H,1-2,5H2,(H2,12,16)(H,14,15)
InChIKeyZIQJTCKJRRJZFS-UHFFFAOYSA-N
MW250.33 g/mol
LogP0.90
Rot. Bonds6

About 5-[[2-(1H-imidazol-5-yl)ethylamino]methyl]thiophene-3-carboxamide

5-[[2-(1H-imidazol-5-yl)ethylamino]methyl]thiophene-3-carboxamide (PubChem CID 79614136) has the molecular formula C11H14N4OS and a molecular weight of 250.33 g/mol. Its IUPAC name is 5-[[2-(1H-imidazol-5-yl)ethylamino]methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[[2-(1H-imidazol-5-yl)ethylamino]methyl]thiophene-3-carboxamide
PubChem CID79614136
Molecular FormulaC11H14N4OS
Molecular Weight250.33 g/mol
Exact Mass250.09
IUPAC Name5-[[2-(1H-imidazol-5-yl)ethylamino]methyl]thiophene-3-carboxamide
SMILESNC(=O)c1csc(CNCCc2cnc[nH]2)c1
InChIInChI=1S/C11H14N4OS/c12-11(16)8-3-10(17-6-8)5-13-2-1-9-4-14-7-15-9/h3-4,6-7,13H,1-2,5H2,(H2,12,16)(H,14,15)
InChIKeyZIQJTCKJRRJZFS-UHFFFAOYSA-N
XLogP0.90
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-(1H-imidazol-5-yl)ethylamino]methyl]benzamide
CID 65232486
5-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]thiophene-3-carboxamide
CID 79613625
5-(butylaminomethyl)thiophene-3-carboxamide
CID 79606629
5-[(4,4,4-trifluorobutylamino)methyl]thiophene-3-carboxamide
CID 81463264
5-[(3,3-dimethylbutylamino)methyl]thiophene-3-carboxamide
CID 115735473
5-[(pyridin-4-ylmethylamino)methyl]thiophene-3-carboxamide
CID 79613567
5-[(2-imidazol-1-ylethylamino)methyl]thiophene-3-carboxamide
CID 79613529
2-(1H-imidazol-5-yl)ethylurea
CID 10582986
5-[[2-(2-methylpropanoylamino)ethylamino]methyl]thiophene-3-carboxamide
CID 79606126
2-(1H-imidazol-5-yl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 64988409
2-[4-[[2-(1H-imidazol-5-yl)ethylamino]methyl]phenoxy]acetamide
CID 64988514
5-[(3-butoxypropylamino)methyl]thiophene-3-carboxamide
CID 115735466

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(1H-imidazol-5-yl)ethylamino]methyl]thiophene-3-carboxamide?
The IUPAC name of 5-[[2-(1H-imidazol-5-yl)ethylamino]methyl]thiophene-3-carboxamide (CID 79614136) is 5-[[2-(1H-imidazol-5-yl)ethylamino]methyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-[[2-(1H-imidazol-5-yl)ethylamino]methyl]thiophene-3-carboxamide?
The canonical SMILES for 5-[[2-(1H-imidazol-5-yl)ethylamino]methyl]thiophene-3-carboxamide is NC(=O)c1csc(CNCCc2cnc[nH]2)c1.
What is the InChIKey of 5-[[2-(1H-imidazol-5-yl)ethylamino]methyl]thiophene-3-carboxamide?
The InChIKey is ZIQJTCKJRRJZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS/c12-11(16)8-3-10(17-6-8)5-13-2-1-9-4-14-7-15-9/h3-4,6-7,13H,1-2,5H2,(H2,12,16)(H,14,15).
What are the key properties of 5-[[2-(1H-imidazol-5-yl)ethylamino]methyl]thiophene-3-carboxamide?
5-[[2-(1H-imidazol-5-yl)ethylamino]methyl]thiophene-3-carboxamide has a molecular weight of 250.33 g/mol, XLogP of 0.90, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(1H-imidazol-5-yl)ethylamino]methyl]thiophene-3-carboxamide is sourced from PubChem (CID 79614136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).