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

C12H10N6OS — CID 47378993

IUPACN-(4,5-dicyano-1H-imidazol-2-yl)-2-(2-ethyl-1,3-thiazol-4-yl)acetamide
SMILESCCc1nc(CC(=O)Nc2nc(C#N)c(C#N)[nH]2)cs1
InChIInChI=1S/C12H10N6OS/c1-2-11-15-7(6-20-11)3-10(19)18-12-16-8(4-13)9(5-14)17-12/h6H,2-3H2,1H3,(H2,16,17,18,19)
InChIKeyLRUUOUPTRMVTNM-UHFFFAOYSA-N
MW286.32 g/mol
LogP1.35
Rot. Bonds4

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

N-(4,5-dicyano-1H-imidazol-2-yl)-2-(2-ethyl-1,3-thiazol-4-yl)acetamide (PubChem CID 47378993) has the molecular formula C12H10N6OS and a molecular weight of 286.32 g/mol. Its IUPAC name is N-(4,5-dicyano-1H-imidazol-2-yl)-2-(2-ethyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(4,5-dicyano-1H-imidazol-2-yl)-2-(2-ethyl-1,3-thiazol-4-yl)acetamide
PubChem CID47378993
Molecular FormulaC12H10N6OS
Molecular Weight286.32 g/mol
Exact Mass286.06
IUPAC NameN-(4,5-dicyano-1H-imidazol-2-yl)-2-(2-ethyl-1,3-thiazol-4-yl)acetamide
SMILESCCc1nc(CC(=O)Nc2nc(C#N)c(C#N)[nH]2)cs1
InChIInChI=1S/C12H10N6OS/c1-2-11-15-7(6-20-11)3-10(19)18-12-16-8(4-13)9(5-14)17-12/h6H,2-3H2,1H3,(H2,16,17,18,19)
InChIKeyLRUUOUPTRMVTNM-UHFFFAOYSA-N
XLogP1.35
TPSA118.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dicyano-1H-imidazol-2-yl)-2-(2-ethyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-(4,5-dicyano-1H-imidazol-2-yl)-2-(2-ethyl-1,3-thiazol-4-yl)acetamide (CID 47378993) is N-(4,5-dicyano-1H-imidazol-2-yl)-2-(2-ethyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-(4,5-dicyano-1H-imidazol-2-yl)-2-(2-ethyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-(4,5-dicyano-1H-imidazol-2-yl)-2-(2-ethyl-1,3-thiazol-4-yl)acetamide is CCc1nc(CC(=O)Nc2nc(C#N)c(C#N)[nH]2)cs1.
What is the InChIKey of N-(4,5-dicyano-1H-imidazol-2-yl)-2-(2-ethyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is LRUUOUPTRMVTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N6OS/c1-2-11-15-7(6-20-11)3-10(19)18-12-16-8(4-13)9(5-14)17-12/h6H,2-3H2,1H3,(H2,16,17,18,19).
What are the key properties of N-(4,5-dicyano-1H-imidazol-2-yl)-2-(2-ethyl-1,3-thiazol-4-yl)acetamide?
N-(4,5-dicyano-1H-imidazol-2-yl)-2-(2-ethyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 286.32 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dicyano-1H-imidazol-2-yl)-2-(2-ethyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 47378993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).