N-(6-imidazol-1-ylhexyl)thiophene-2-carboxamide

C14H19N3OS — CID 110442375

IUPACN-(6-imidazol-1-ylhexyl)thiophene-2-carboxamide
SMILESO=C(NCCCCCCn1ccnc1)c1cccs1
InChIInChI=1S/C14H19N3OS/c18-14(13-6-5-11-19-13)16-7-3-1-2-4-9-17-10-8-15-12-17/h5-6,8,10-12H,1-4,7,9H2,(H,16,18)
InChIKeyCBMHYCMYBZPIEE-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.93
Rot. Bonds8

About N-(6-imidazol-1-ylhexyl)thiophene-2-carboxamide

N-(6-imidazol-1-ylhexyl)thiophene-2-carboxamide (PubChem CID 110442375) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is N-(6-imidazol-1-ylhexyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(6-imidazol-1-ylhexyl)thiophene-2-carboxamide
PubChem CID110442375
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC NameN-(6-imidazol-1-ylhexyl)thiophene-2-carboxamide
SMILESO=C(NCCCCCCn1ccnc1)c1cccs1
InChIInChI=1S/C14H19N3OS/c18-14(13-6-5-11-19-13)16-7-3-1-2-4-9-17-10-8-15-12-17/h5-6,8,10-12H,1-4,7,9H2,(H,16,18)
InChIKeyCBMHYCMYBZPIEE-UHFFFAOYSA-N
XLogP2.93
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.93
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-(4-imidazol-1-ylbutyl)thiophene-2-carboxamide
CID 13371093
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-(5-imidazol-1-ylpentyl)-3-methylbenzamide
CID 110441440
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-chloro-6-fluoro-N-(5-imidazol-1-ylpentyl)benzamide
CID 110445786
2,3-difluoro-N-(3-imidazol-1-ylpropyl)benzamide
CID 62649023

Frequently Asked Questions

What is the IUPAC name of N-(6-imidazol-1-ylhexyl)thiophene-2-carboxamide?
The IUPAC name of N-(6-imidazol-1-ylhexyl)thiophene-2-carboxamide (CID 110442375) is N-(6-imidazol-1-ylhexyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(6-imidazol-1-ylhexyl)thiophene-2-carboxamide?
The canonical SMILES for N-(6-imidazol-1-ylhexyl)thiophene-2-carboxamide is O=C(NCCCCCCn1ccnc1)c1cccs1.
What is the InChIKey of N-(6-imidazol-1-ylhexyl)thiophene-2-carboxamide?
The InChIKey is CBMHYCMYBZPIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c18-14(13-6-5-11-19-13)16-7-3-1-2-4-9-17-10-8-15-12-17/h5-6,8,10-12H,1-4,7,9H2,(H,16,18).
What are the key properties of N-(6-imidazol-1-ylhexyl)thiophene-2-carboxamide?
N-(6-imidazol-1-ylhexyl)thiophene-2-carboxamide has a molecular weight of 277.39 g/mol, XLogP of 2.93, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-imidazol-1-ylhexyl)thiophene-2-carboxamide is sourced from PubChem (CID 110442375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).