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

C12H10N6OS — CID 86813555

IUPACN-(4,5-dicyano-1H-imidazol-2-yl)-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CC(=O)Nc2nc(C#N)c(C#N)[nH]2)c(C)s1
InChIInChI=1S/C12H10N6OS/c1-6-8(15-7(2)20-6)3-11(19)18-12-16-9(4-13)10(5-14)17-12/h3H2,1-2H3,(H2,16,17,18,19)
InChIKeyRCCOPWNIPCNVNO-UHFFFAOYSA-N
MW286.32 g/mol
LogP1.41
Rot. Bonds3

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

N-(4,5-dicyano-1H-imidazol-2-yl)-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide (PubChem CID 86813555) 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-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(4,5-dicyano-1H-imidazol-2-yl)-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide
PubChem CID86813555
Molecular FormulaC12H10N6OS
Molecular Weight286.32 g/mol
Exact Mass286.06
IUPAC NameN-(4,5-dicyano-1H-imidazol-2-yl)-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CC(=O)Nc2nc(C#N)c(C#N)[nH]2)c(C)s1
InChIInChI=1S/C12H10N6OS/c1-6-8(15-7(2)20-6)3-11(19)18-12-16-9(4-13)10(5-14)17-12/h3H2,1-2H3,(H2,16,17,18,19)
InChIKeyRCCOPWNIPCNVNO-UHFFFAOYSA-N
XLogP1.41
TPSA118.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 51.41
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-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-(4,5-dicyano-1H-imidazol-2-yl)-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide (CID 86813555) is N-(4,5-dicyano-1H-imidazol-2-yl)-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-(4,5-dicyano-1H-imidazol-2-yl)-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-(4,5-dicyano-1H-imidazol-2-yl)-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide is Cc1nc(CC(=O)Nc2nc(C#N)c(C#N)[nH]2)c(C)s1.
What is the InChIKey of N-(4,5-dicyano-1H-imidazol-2-yl)-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is RCCOPWNIPCNVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N6OS/c1-6-8(15-7(2)20-6)3-11(19)18-12-16-9(4-13)10(5-14)17-12/h3H2,1-2H3,(H2,16,17,18,19).
What are the key properties of N-(4,5-dicyano-1H-imidazol-2-yl)-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide?
N-(4,5-dicyano-1H-imidazol-2-yl)-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 286.32 g/mol, XLogP of 1.41, 3 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-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 86813555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).