N-(3-imidazol-1-ylpropyl)-5-phenylthiadiazole-4-carboxamide

C15H15N5OS — CID 71688676

IUPACN-(3-imidazol-1-ylpropyl)-5-phenylthiadiazole-4-carboxamide
SMILESO=C(NCCCn1ccnc1)c1nnsc1-c1ccccc1
InChIInChI=1S/C15H15N5OS/c21-15(17-7-4-9-20-10-8-16-11-20)13-14(22-19-18-13)12-5-2-1-3-6-12/h1-3,5-6,8,10-11H,4,7,9H2,(H,17,21)
InChIKeySSAVYQDJZCPMKE-UHFFFAOYSA-N
MW313.39 g/mol
LogP2.22
Rot. Bonds6

About N-(3-imidazol-1-ylpropyl)-5-phenylthiadiazole-4-carboxamide

N-(3-imidazol-1-ylpropyl)-5-phenylthiadiazole-4-carboxamide (PubChem CID 71688676) has the molecular formula C15H15N5OS and a molecular weight of 313.39 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-5-phenylthiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-5-phenylthiadiazole-4-carboxamide
PubChem CID71688676
Molecular FormulaC15H15N5OS
Molecular Weight313.39 g/mol
Exact Mass313.10
IUPAC NameN-(3-imidazol-1-ylpropyl)-5-phenylthiadiazole-4-carboxamide
SMILESO=C(NCCCn1ccnc1)c1nnsc1-c1ccccc1
InChIInChI=1S/C15H15N5OS/c21-15(17-7-4-9-20-10-8-16-11-20)13-14(22-19-18-13)12-5-2-1-3-6-12/h1-3,5-6,8,10-11H,4,7,9H2,(H,17,21)
InChIKeySSAVYQDJZCPMKE-UHFFFAOYSA-N
XLogP2.22
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 52.22
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-(4-phenylphenyl)acetamide
CID 35513194
N-[3-(dimethylamino)propyl]-5-phenylthiadiazole-4-carboxamide
CID 71688668
2-(3-imidazol-1-ylpropylcarbamoyl)pyridine-3-carboxylic acid
CID 19155028
3-imidazol-1-ylpropylurea
CID 22179621
N-(3-imidazol-1-ylpropyl)-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide
CID 57383679
N-(3-imidazol-1-ylpropyl)-4-methyl-2-phenylpyrimidine-5-carboxamide
CID 74232139
N-(3-imidazol-1-ylpropyl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
CID 35325611
2,3-difluoro-N-(3-imidazol-1-ylpropyl)benzamide
CID 62649023
N-(3-imidazol-1-ylpropyl)-4-methoxy-3-phenylbenzamide
CID 49487480
N-(4-imidazol-1-ylbutyl)thiophene-2-carboxamide
CID 13371093
2-(dimethylamino)-N-(3-imidazol-1-ylpropyl)benzamide
CID 110463562
3-benzamido-N-(3-imidazol-1-ylpropyl)benzamide
CID 4144744

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-5-phenylthiadiazole-4-carboxamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-5-phenylthiadiazole-4-carboxamide (CID 71688676) is N-(3-imidazol-1-ylpropyl)-5-phenylthiadiazole-4-carboxamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-5-phenylthiadiazole-4-carboxamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-5-phenylthiadiazole-4-carboxamide is O=C(NCCCn1ccnc1)c1nnsc1-c1ccccc1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-5-phenylthiadiazole-4-carboxamide?
The InChIKey is SSAVYQDJZCPMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5OS/c21-15(17-7-4-9-20-10-8-16-11-20)13-14(22-19-18-13)12-5-2-1-3-6-12/h1-3,5-6,8,10-11H,4,7,9H2,(H,17,21).
What are the key properties of N-(3-imidazol-1-ylpropyl)-5-phenylthiadiazole-4-carboxamide?
N-(3-imidazol-1-ylpropyl)-5-phenylthiadiazole-4-carboxamide has a molecular weight of 313.39 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-5-phenylthiadiazole-4-carboxamide is sourced from PubChem (CID 71688676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).