6-phenyl-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide

C16H14N6OS2 — CID 56718990

IUPAC6-phenyl-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESO=C(NCCSc1cn[nH]n1)c1csc2nc(-c3ccccc3)cn12
InChIInChI=1S/C16H14N6OS2/c23-15(17-6-7-24-14-8-18-21-20-14)13-10-25-16-19-12(9-22(13)16)11-4-2-1-3-5-11/h1-5,8-10H,6-7H2,(H,17,23)(H,18,20,21)
InChIKeyLGRFLJPJXLEEEX-UHFFFAOYSA-N
MW370.46 g/mol
LogP2.70
Rot. Bonds6

About 6-phenyl-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide

6-phenyl-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 56718990) has the molecular formula C16H14N6OS2 and a molecular weight of 370.46 g/mol. Its IUPAC name is 6-phenyl-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound Name6-phenyl-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
PubChem CID56718990
Molecular FormulaC16H14N6OS2
Molecular Weight370.46 g/mol
Exact Mass370.07
IUPAC Name6-phenyl-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESO=C(NCCSc1cn[nH]n1)c1csc2nc(-c3ccccc3)cn12
InChIInChI=1S/C16H14N6OS2/c23-15(17-6-7-24-14-8-18-21-20-14)13-10-25-16-19-12(9-22(13)16)11-4-2-1-3-5-11/h1-5,8-10H,6-7H2,(H,17,23)(H,18,20,21)
InChIKeyLGRFLJPJXLEEEX-UHFFFAOYSA-N
XLogP2.70
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-oxopyrrolidin-1-yl)propyl]-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271596
5-phenyl-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]-1,2-oxazole-3-carboxamide
CID 70743832
N-[(4-methoxyphenyl)methyl]-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271395
N-[2-(3-methoxyphenyl)ethyl]-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271606
6-phenyl-N-[(1R)-1-phenylethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271579
N-(2-chlorophenyl)-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271470
N-(4-acetamidophenyl)-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271612
N-[2-(2H-triazol-4-ylsulfanyl)ethyl]-1-benzothiophene-2-carboxamide
CID 56745283
N-benzyl-6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42270548
6-(3-methoxyphenyl)-N-(3-methoxypropyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42270765
N-[3-(dimethylamino)propyl]-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271640
N-[2-[[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]ethyl]benzamide
CID 38231605

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The IUPAC name of 6-phenyl-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide (CID 56718990) is 6-phenyl-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide.
What is the SMILES notation for 6-phenyl-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The canonical SMILES for 6-phenyl-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide is O=C(NCCSc1cn[nH]n1)c1csc2nc(-c3ccccc3)cn12.
What is the InChIKey of 6-phenyl-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is LGRFLJPJXLEEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6OS2/c23-15(17-6-7-24-14-8-18-21-20-14)13-10-25-16-19-12(9-22(13)16)11-4-2-1-3-5-11/h1-5,8-10H,6-7H2,(H,17,23)(H,18,20,21).
What are the key properties of 6-phenyl-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide?
6-phenyl-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 370.46 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 56718990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).