2-(5-imidazol-1-ylpentanoyl)-1,3-thiazole-4-carboxamide

C12H14N4O2S — CID 18788283

IUPAC2-(5-imidazol-1-ylpentanoyl)-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1csc(C(=O)CCCCn2ccnc2)n1
InChIInChI=1S/C12H14N4O2S/c13-11(18)9-7-19-12(15-9)10(17)3-1-2-5-16-6-4-14-8-16/h4,6-8H,1-3,5H2,(H2,13,18)
InChIKeyZPJLSWVBVARLEL-UHFFFAOYSA-N
MW278.34 g/mol
LogP1.49
Rot. Bonds7

About 2-(5-imidazol-1-ylpentanoyl)-1,3-thiazole-4-carboxamide

2-(5-imidazol-1-ylpentanoyl)-1,3-thiazole-4-carboxamide (PubChem CID 18788283) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is 2-(5-imidazol-1-ylpentanoyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(5-imidazol-1-ylpentanoyl)-1,3-thiazole-4-carboxamide
PubChem CID18788283
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC Name2-(5-imidazol-1-ylpentanoyl)-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1csc(C(=O)CCCCn2ccnc2)n1
InChIInChI=1S/C12H14N4O2S/c13-11(18)9-7-19-12(15-9)10(17)3-1-2-5-16-6-4-14-8-16/h4,6-8H,1-3,5H2,(H2,13,18)
InChIKeyZPJLSWVBVARLEL-UHFFFAOYSA-N
XLogP1.49
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3-imidazol-1-ylpropyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 47447578
3-imidazol-1-ylpropanamide;hydrate
CID 70092717
1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-5-imidazol-1-ylpentan-1-one
CID 58128796
4-imidazol-1-ylbutanethioamide
CID 19417737
1-(14-imidazol-1-yltetradecyl)imidazole;hydrochloride
CID 57391442
3-imidazol-1-ylpropylurea
CID 22179621
2-(aminomethyl)-N-(2-imidazol-1-ylethyl)-1,3-thiazole-4-carboxamide
CID 66376914
5-imidazol-1-yl-2-oxopentanoic acid
CID 174329319
3-amino-5-(3-imidazol-1-ylpropylamino)thiophene-2-carboxamide
CID 103426808
2-[(3-imidazol-1-ylpropanoylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66381418
9-imidazol-1-yl-N-methylnonanamide
CID 12803322
1-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]-5-imidazol-1-ylpentan-1-one
CID 58128785

Frequently Asked Questions

What is the IUPAC name of 2-(5-imidazol-1-ylpentanoyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(5-imidazol-1-ylpentanoyl)-1,3-thiazole-4-carboxamide (CID 18788283) is 2-(5-imidazol-1-ylpentanoyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(5-imidazol-1-ylpentanoyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(5-imidazol-1-ylpentanoyl)-1,3-thiazole-4-carboxamide is NC(=O)c1csc(C(=O)CCCCn2ccnc2)n1.
What is the InChIKey of 2-(5-imidazol-1-ylpentanoyl)-1,3-thiazole-4-carboxamide?
The InChIKey is ZPJLSWVBVARLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c13-11(18)9-7-19-12(15-9)10(17)3-1-2-5-16-6-4-14-8-16/h4,6-8H,1-3,5H2,(H2,13,18).
What are the key properties of 2-(5-imidazol-1-ylpentanoyl)-1,3-thiazole-4-carboxamide?
2-(5-imidazol-1-ylpentanoyl)-1,3-thiazole-4-carboxamide has a molecular weight of 278.34 g/mol, XLogP of 1.49, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-imidazol-1-ylpentanoyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 18788283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).