2-(1-butyl-5-imidazo[2,1-b][1,3]thiazol-6-yl-1,2,4-triazol-3-yl)acetamide

C13H16N6OS — CID 131922292

IUPAC2-(1-butyl-5-imidazo[2,1-b][1,3]thiazol-6-yl-1,2,4-triazol-3-yl)acetamide
SMILESCCCCn1nc(CC(N)=O)nc1-c1cn2ccsc2n1
InChIInChI=1S/C13H16N6OS/c1-2-3-4-19-12(16-11(17-19)7-10(14)20)9-8-18-5-6-21-13(18)15-9/h5-6,8H,2-4,7H2,1H3,(H2,14,20)
InChIKeyRGEQJBXRXJXHPW-UHFFFAOYSA-N
MW304.38 g/mol
LogP1.48
Rot. Bonds6

About 2-(1-butyl-5-imidazo[2,1-b][1,3]thiazol-6-yl-1,2,4-triazol-3-yl)acetamide

2-(1-butyl-5-imidazo[2,1-b][1,3]thiazol-6-yl-1,2,4-triazol-3-yl)acetamide (PubChem CID 131922292) has the molecular formula C13H16N6OS and a molecular weight of 304.38 g/mol. Its IUPAC name is 2-(1-butyl-5-imidazo[2,1-b][1,3]thiazol-6-yl-1,2,4-triazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(1-butyl-5-imidazo[2,1-b][1,3]thiazol-6-yl-1,2,4-triazol-3-yl)acetamide
PubChem CID131922292
Molecular FormulaC13H16N6OS
Molecular Weight304.38 g/mol
Exact Mass304.11
IUPAC Name2-(1-butyl-5-imidazo[2,1-b][1,3]thiazol-6-yl-1,2,4-triazol-3-yl)acetamide
SMILESCCCCn1nc(CC(N)=O)nc1-c1cn2ccsc2n1
InChIInChI=1S/C13H16N6OS/c1-2-3-4-19-12(16-11(17-19)7-10(14)20)9-8-18-5-6-21-13(18)15-9/h5-6,8H,2-4,7H2,1H3,(H2,14,20)
InChIKeyRGEQJBXRXJXHPW-UHFFFAOYSA-N
XLogP1.48
TPSA91.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(1-butyl-5-imidazo[2,1-b][1,3]thiazol-6-yl-1,2,4-triazol-3-yl)acetamide?
The IUPAC name of 2-(1-butyl-5-imidazo[2,1-b][1,3]thiazol-6-yl-1,2,4-triazol-3-yl)acetamide (CID 131922292) is 2-(1-butyl-5-imidazo[2,1-b][1,3]thiazol-6-yl-1,2,4-triazol-3-yl)acetamide.
What is the SMILES notation for 2-(1-butyl-5-imidazo[2,1-b][1,3]thiazol-6-yl-1,2,4-triazol-3-yl)acetamide?
The canonical SMILES for 2-(1-butyl-5-imidazo[2,1-b][1,3]thiazol-6-yl-1,2,4-triazol-3-yl)acetamide is CCCCn1nc(CC(N)=O)nc1-c1cn2ccsc2n1.
What is the InChIKey of 2-(1-butyl-5-imidazo[2,1-b][1,3]thiazol-6-yl-1,2,4-triazol-3-yl)acetamide?
The InChIKey is RGEQJBXRXJXHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6OS/c1-2-3-4-19-12(16-11(17-19)7-10(14)20)9-8-18-5-6-21-13(18)15-9/h5-6,8H,2-4,7H2,1H3,(H2,14,20).
What are the key properties of 2-(1-butyl-5-imidazo[2,1-b][1,3]thiazol-6-yl-1,2,4-triazol-3-yl)acetamide?
2-(1-butyl-5-imidazo[2,1-b][1,3]thiazol-6-yl-1,2,4-triazol-3-yl)acetamide has a molecular weight of 304.38 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butyl-5-imidazo[2,1-b][1,3]thiazol-6-yl-1,2,4-triazol-3-yl)acetamide is sourced from PubChem (CID 131922292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).