2-[3-(1,2,4-triazol-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]benzamide

C15H12N6OS — CID 68725692

IUPAC2-[3-(1,2,4-triazol-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]benzamide
SMILESNC(=O)c1ccccc1-c1cn2c(Cn3cncn3)csc2n1
InChIInChI=1S/C15H12N6OS/c16-14(22)12-4-2-1-3-11(12)13-6-21-10(7-23-15(21)19-13)5-20-9-17-8-18-20/h1-4,6-9H,5H2,(H2,16,22)
InChIKeyHKEQQBKHAYJNBB-UHFFFAOYSA-N
MW324.37 g/mol
LogP1.80
Rot. Bonds4

About 2-[3-(1,2,4-triazol-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]benzamide

2-[3-(1,2,4-triazol-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]benzamide (PubChem CID 68725692) has the molecular formula C15H12N6OS and a molecular weight of 324.37 g/mol. Its IUPAC name is 2-[3-(1,2,4-triazol-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]benzamide.

Molecular Properties

Compound Name2-[3-(1,2,4-triazol-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]benzamide
PubChem CID68725692
Molecular FormulaC15H12N6OS
Molecular Weight324.37 g/mol
Exact Mass324.08
IUPAC Name2-[3-(1,2,4-triazol-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]benzamide
SMILESNC(=O)c1ccccc1-c1cn2c(Cn3cncn3)csc2n1
InChIInChI=1S/C15H12N6OS/c16-14(22)12-4-2-1-3-11(12)13-6-21-10(7-23-15(21)19-13)5-20-9-17-8-18-20/h1-4,6-9H,5H2,(H2,16,22)
InChIKeyHKEQQBKHAYJNBB-UHFFFAOYSA-N
XLogP1.80
TPSA91.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,2,4-triazol-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]benzamide?
The IUPAC name of 2-[3-(1,2,4-triazol-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]benzamide (CID 68725692) is 2-[3-(1,2,4-triazol-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]benzamide.
What is the SMILES notation for 2-[3-(1,2,4-triazol-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]benzamide?
The canonical SMILES for 2-[3-(1,2,4-triazol-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]benzamide is NC(=O)c1ccccc1-c1cn2c(Cn3cncn3)csc2n1.
What is the InChIKey of 2-[3-(1,2,4-triazol-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]benzamide?
The InChIKey is HKEQQBKHAYJNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6OS/c16-14(22)12-4-2-1-3-11(12)13-6-21-10(7-23-15(21)19-13)5-20-9-17-8-18-20/h1-4,6-9H,5H2,(H2,16,22).
What are the key properties of 2-[3-(1,2,4-triazol-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]benzamide?
2-[3-(1,2,4-triazol-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]benzamide has a molecular weight of 324.37 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,2,4-triazol-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]benzamide is sourced from PubChem (CID 68725692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).