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

C13H12N6OS — CID 91641515

IUPACN-(4,5-dicyano-1H-imidazol-2-yl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
SMILESCC(C)c1nc(CC(=O)Nc2nc(C#N)c(C#N)[nH]2)cs1
InChIInChI=1S/C13H12N6OS/c1-7(2)12-16-8(6-21-12)3-11(20)19-13-17-9(4-14)10(5-15)18-13/h6-7H,3H2,1-2H3,(H2,17,18,19,20)
InChIKeyTVXNMWXULJFFKK-UHFFFAOYSA-N
MW300.35 g/mol
LogP1.91
Rot. Bonds4

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

N-(4,5-dicyano-1H-imidazol-2-yl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 91641515) has the molecular formula C13H12N6OS and a molecular weight of 300.35 g/mol. Its IUPAC name is N-(4,5-dicyano-1H-imidazol-2-yl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(4,5-dicyano-1H-imidazol-2-yl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
PubChem CID91641515
Molecular FormulaC13H12N6OS
Molecular Weight300.35 g/mol
Exact Mass300.08
IUPAC NameN-(4,5-dicyano-1H-imidazol-2-yl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
SMILESCC(C)c1nc(CC(=O)Nc2nc(C#N)c(C#N)[nH]2)cs1
InChIInChI=1S/C13H12N6OS/c1-7(2)12-16-8(6-21-12)3-11(20)19-13-17-9(4-14)10(5-15)18-13/h6-7H,3H2,1-2H3,(H2,17,18,19,20)
InChIKeyTVXNMWXULJFFKK-UHFFFAOYSA-N
XLogP1.91
TPSA118.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4,5-dicyano-1H-imidazol-2-yl)-2-(2-ethyl-1,3-thiazol-4-yl)acetamide
CID 47378993
N-(4,5-dicyano-1H-imidazol-2-yl)-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide
CID 86813555
2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(4,5-dicyano-1H-imidazol-2-yl)acetamide
CID 91642111

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dicyano-1H-imidazol-2-yl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-(4,5-dicyano-1H-imidazol-2-yl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide (CID 91641515) is N-(4,5-dicyano-1H-imidazol-2-yl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-(4,5-dicyano-1H-imidazol-2-yl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-(4,5-dicyano-1H-imidazol-2-yl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide is CC(C)c1nc(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-propan-2-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is TVXNMWXULJFFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6OS/c1-7(2)12-16-8(6-21-12)3-11(20)19-13-17-9(4-14)10(5-15)18-13/h6-7H,3H2,1-2H3,(H2,17,18,19,20).
What are the key properties of N-(4,5-dicyano-1H-imidazol-2-yl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide?
N-(4,5-dicyano-1H-imidazol-2-yl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 300.35 g/mol, XLogP of 1.91, 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-propan-2-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 91641515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).