2-[(5-cyano-2-pyridinyl)-methylamino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide

C12H12N6OS — CID 47359932

IUPAC2-[(5-cyano-2-pyridinyl)-methylamino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1nnc(NC(=O)CN(C)c2ccc(C#N)cn2)s1
InChIInChI=1S/C12H12N6OS/c1-8-16-17-12(20-8)15-11(19)7-18(2)10-4-3-9(5-13)6-14-10/h3-4,6H,7H2,1-2H3,(H,15,17,19)
InChIKeyVDUYUJGVVPEDOX-UHFFFAOYSA-N
MW288.34 g/mol
LogP1.19
Rot. Bonds4

About 2-[(5-cyano-2-pyridinyl)-methylamino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide

2-[(5-cyano-2-pyridinyl)-methylamino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 47359932) has the molecular formula C12H12N6OS and a molecular weight of 288.34 g/mol. Its IUPAC name is 2-[(5-cyano-2-pyridinyl)-methylamino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(5-cyano-2-pyridinyl)-methylamino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID47359932
Molecular FormulaC12H12N6OS
Molecular Weight288.34 g/mol
Exact Mass288.08
IUPAC Name2-[(5-cyano-2-pyridinyl)-methylamino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1nnc(NC(=O)CN(C)c2ccc(C#N)cn2)s1
InChIInChI=1S/C12H12N6OS/c1-8-16-17-12(20-8)15-11(19)7-18(2)10-4-3-9(5-13)6-14-10/h3-4,6H,7H2,1-2H3,(H,15,17,19)
InChIKeyVDUYUJGVVPEDOX-UHFFFAOYSA-N
XLogP1.19
TPSA94.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyano-2-pyridinyl)-methylamino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-[(5-cyano-2-pyridinyl)-methylamino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (CID 47359932) is 2-[(5-cyano-2-pyridinyl)-methylamino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(5-cyano-2-pyridinyl)-methylamino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-[(5-cyano-2-pyridinyl)-methylamino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide is Cc1nnc(NC(=O)CN(C)c2ccc(C#N)cn2)s1.
What is the InChIKey of 2-[(5-cyano-2-pyridinyl)-methylamino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is VDUYUJGVVPEDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6OS/c1-8-16-17-12(20-8)15-11(19)7-18(2)10-4-3-9(5-13)6-14-10/h3-4,6H,7H2,1-2H3,(H,15,17,19).
What are the key properties of 2-[(5-cyano-2-pyridinyl)-methylamino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
2-[(5-cyano-2-pyridinyl)-methylamino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 288.34 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyano-2-pyridinyl)-methylamino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 47359932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).