2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide;N,N-dimethylformamide

About 2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide;N,N-dimethylformamide

2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide;N,N-dimethylformamide (PubChem CID 90481403) has the molecular formula C16H17N7O2S2 and a molecular weight of 403.49 g/mol. Its IUPAC name is 2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide;N,N-dimethylformamide.

Molecular Properties

Compound Name	2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide;N,N-dimethylformamide
PubChem CID	90481403
Molecular Formula	C16H17N7O2S2
Molecular Weight	403.49 g/mol
Exact Mass	403.09
IUPAC Name	2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide;N,N-dimethylformamide
SMILES	CN(C)C=O.Cc1csc(NC(=O)CSc2nc(N)c(C#N)cc2C#N)n1
InChI	InChI=1S/C13H10N6OS2.C3H7NO/c1-7-5-22-13(17-7)18-10(20)6-21-12-9(4-15)2-8(3-14)11(16)19-12;1-4(2)3-5/h2,5H,6H2,1H3,(H2,16,19)(H,17,18,20);3H,1-2H3
InChIKey	AWIKEZUNESGBGT-UHFFFAOYSA-N
XLogP	1.61
TPSA	148.79 Å²
H-Bond Donors	2
H-Bond Acceptors	9
Rotatable Bonds	5
Heavy Atoms	27
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	403.49
LogP ≤ 5	1.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide;N,N-dimethylformamide?

The IUPAC name of 2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide;N,N-dimethylformamide (CID 90481403) is 2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide;N,N-dimethylformamide.

What is the SMILES notation for 2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide;N,N-dimethylformamide?

The canonical SMILES for 2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide;N,N-dimethylformamide is CN(C)C=O.Cc1csc(NC(=O)CSc2nc(N)c(C#N)cc2C#N)n1.

What is the InChIKey of 2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide;N,N-dimethylformamide?

The InChIKey is AWIKEZUNESGBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N6OS2.C3H7NO/c1-7-5-22-13(17-7)18-10(20)6-21-12-9(4-15)2-8(3-14)11(16)19-12;1-4(2)3-5/h2,5H,6H2,1H3,(H2,16,19)(H,17,18,20);3H,1-2H3.

What are the key properties of 2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide;N,N-dimethylformamide?

2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide;N,N-dimethylformamide has a molecular weight of 403.49 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide;N,N-dimethylformamide is sourced from PubChem (CID 90481403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).