N-(4-imidazol-1-ylbutyl)thiophene-2-carboxamide

C12H15N3OS — CID 13371093

IUPACN-(4-imidazol-1-ylbutyl)thiophene-2-carboxamide
SMILESO=C(NCCCCn1ccnc1)c1cccs1
InChIInChI=1S/C12H15N3OS/c16-12(11-4-3-9-17-11)14-5-1-2-7-15-8-6-13-10-15/h3-4,6,8-10H,1-2,5,7H2,(H,14,16)
InChIKeyJADYERCEZASDCW-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.15
Rot. Bonds6

About N-(4-imidazol-1-ylbutyl)thiophene-2-carboxamide

N-(4-imidazol-1-ylbutyl)thiophene-2-carboxamide (PubChem CID 13371093) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is N-(4-imidazol-1-ylbutyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-imidazol-1-ylbutyl)thiophene-2-carboxamide
PubChem CID13371093
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC NameN-(4-imidazol-1-ylbutyl)thiophene-2-carboxamide
SMILESO=C(NCCCCn1ccnc1)c1cccs1
InChIInChI=1S/C12H15N3OS/c16-12(11-4-3-9-17-11)14-5-1-2-7-15-8-6-13-10-15/h3-4,6,8-10H,1-2,5,7H2,(H,14,16)
InChIKeyJADYERCEZASDCW-UHFFFAOYSA-N
XLogP2.15
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(6-imidazol-1-ylhexyl)thiophene-2-carboxamide
CID 110442375
N-[2-chloro-5-(4-imidazol-1-ylbutylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 55977431
N-(3-imidazol-1-ylpropyl)thiophene-2-carbothioamide
CID 24994520
N-(3-imidazol-1-ylpropyl)-4-(thiophen-2-ylsulfonylamino)benzamide
CID 30944474
N-(4-imidazol-1-ylbutyl)-1H-pyrrole-2-carboxamide
CID 110445327
N-(2-imidazol-1-ylethyl)-2-thiophen-2-ylacetamide
CID 110472557
N-(3-imidazol-1-ylpropyl)-3,5-bis(thiophen-2-ylsulfonylamino)benzamide
CID 4070087
2-imidazol-1-yl-1-thiophen-2-ylethanone
CID 14264751
N-(3-imidazol-1-ylpropyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 47447578
2,3-difluoro-N-(3-imidazol-1-ylpropyl)benzamide
CID 62649023
2,3-dichloro-N-(4-imidazol-1-ylbutyl)benzamide
CID 47068478
(4R)-N-(3-imidazol-1-ylpropyl)-6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 95213208

Frequently Asked Questions

What is the IUPAC name of N-(4-imidazol-1-ylbutyl)thiophene-2-carboxamide?
The IUPAC name of N-(4-imidazol-1-ylbutyl)thiophene-2-carboxamide (CID 13371093) is N-(4-imidazol-1-ylbutyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(4-imidazol-1-ylbutyl)thiophene-2-carboxamide?
The canonical SMILES for N-(4-imidazol-1-ylbutyl)thiophene-2-carboxamide is O=C(NCCCCn1ccnc1)c1cccs1.
What is the InChIKey of N-(4-imidazol-1-ylbutyl)thiophene-2-carboxamide?
The InChIKey is JADYERCEZASDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c16-12(11-4-3-9-17-11)14-5-1-2-7-15-8-6-13-10-15/h3-4,6,8-10H,1-2,5,7H2,(H,14,16).
What are the key properties of N-(4-imidazol-1-ylbutyl)thiophene-2-carboxamide?
N-(4-imidazol-1-ylbutyl)thiophene-2-carboxamide has a molecular weight of 249.34 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-imidazol-1-ylbutyl)thiophene-2-carboxamide is sourced from PubChem (CID 13371093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).