2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(4,5-dicyano-1H-imidazol-2-yl)acetamide

C14H14N6OS — CID 91642111

IUPAC2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(4,5-dicyano-1H-imidazol-2-yl)acetamide
SMILESCC(C)(C)c1nc(CC(=O)Nc2nc(C#N)c(C#N)[nH]2)cs1
InChIInChI=1S/C14H14N6OS/c1-14(2,3)12-17-8(7-22-12)4-11(21)20-13-18-9(5-15)10(6-16)19-13/h7H,4H2,1-3H3,(H2,18,19,20,21)
InChIKeyOWYHDBISCIYCMS-UHFFFAOYSA-N
MW314.37 g/mol
LogP2.09
Rot. Bonds3

About 2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(4,5-dicyano-1H-imidazol-2-yl)acetamide

2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(4,5-dicyano-1H-imidazol-2-yl)acetamide (PubChem CID 91642111) has the molecular formula C14H14N6OS and a molecular weight of 314.37 g/mol. Its IUPAC name is 2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(4,5-dicyano-1H-imidazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(4,5-dicyano-1H-imidazol-2-yl)acetamide
PubChem CID91642111
Molecular FormulaC14H14N6OS
Molecular Weight314.37 g/mol
Exact Mass314.09
IUPAC Name2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(4,5-dicyano-1H-imidazol-2-yl)acetamide
SMILESCC(C)(C)c1nc(CC(=O)Nc2nc(C#N)c(C#N)[nH]2)cs1
InChIInChI=1S/C14H14N6OS/c1-14(2,3)12-17-8(7-22-12)4-11(21)20-13-18-9(5-15)10(6-16)19-13/h7H,4H2,1-3H3,(H2,18,19,20,21)
InChIKeyOWYHDBISCIYCMS-UHFFFAOYSA-N
XLogP2.09
TPSA118.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(4,5-dicyano-1H-imidazol-2-yl)acetamide?
The IUPAC name of 2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(4,5-dicyano-1H-imidazol-2-yl)acetamide (CID 91642111) is 2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(4,5-dicyano-1H-imidazol-2-yl)acetamide.
What is the SMILES notation for 2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(4,5-dicyano-1H-imidazol-2-yl)acetamide?
The canonical SMILES for 2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(4,5-dicyano-1H-imidazol-2-yl)acetamide is CC(C)(C)c1nc(CC(=O)Nc2nc(C#N)c(C#N)[nH]2)cs1.
What is the InChIKey of 2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(4,5-dicyano-1H-imidazol-2-yl)acetamide?
The InChIKey is OWYHDBISCIYCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6OS/c1-14(2,3)12-17-8(7-22-12)4-11(21)20-13-18-9(5-15)10(6-16)19-13/h7H,4H2,1-3H3,(H2,18,19,20,21).
What are the key properties of 2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(4,5-dicyano-1H-imidazol-2-yl)acetamide?
2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(4,5-dicyano-1H-imidazol-2-yl)acetamide has a molecular weight of 314.37 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(4,5-dicyano-1H-imidazol-2-yl)acetamide is sourced from PubChem (CID 91642111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).