2-amino-4-methyl-6-sulfanylidene-1H-pyridine-3-carbonitrile

C7H7N3S — CID 101038088

IUPAC2-amino-4-methyl-6-sulfanylidene-1H-pyridine-3-carbonitrile
SMILESCc1cc(=S)[nH]c(N)c1C#N
InChIInChI=1S/C7H7N3S/c1-4-2-6(11)10-7(9)5(4)3-8/h2H,1H3,(H3,9,10,11)
InChIKeyNUTFHOQZWLFJNU-UHFFFAOYSA-N
MW165.22 g/mol
LogP1.51
Rot. Bonds

About 2-amino-4-methyl-6-sulfanylidene-1H-pyridine-3-carbonitrile

2-amino-4-methyl-6-sulfanylidene-1H-pyridine-3-carbonitrile (PubChem CID 101038088) has the molecular formula C7H7N3S and a molecular weight of 165.22 g/mol. Its IUPAC name is 2-amino-4-methyl-6-sulfanylidene-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-methyl-6-sulfanylidene-1H-pyridine-3-carbonitrile
PubChem CID101038088
Molecular FormulaC7H7N3S
Molecular Weight165.22 g/mol
Exact Mass165.04
IUPAC Name2-amino-4-methyl-6-sulfanylidene-1H-pyridine-3-carbonitrile
SMILESCc1cc(=S)[nH]c(N)c1C#N
InChIInChI=1S/C7H7N3S/c1-4-2-6(11)10-7(9)5(4)3-8/h2H,1H3,(H3,9,10,11)
InChIKeyNUTFHOQZWLFJNU-UHFFFAOYSA-N
XLogP1.51
TPSA65.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.22
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Amino-6-mercapto-4-methyl-3,5-pyridinedicarbonitrile
CID 3005160
2-Amino-6-mercaptopyridine-3,5-dicarbonitrile
CID 683189
AC1NT16T
CID 5373995
2-Amino-3,5-cyano-6-thiopyridine
CID 119024063
4-methyl-2-sulfanyl-6-sulfanylidene-1H-pyridine-3-carbonitrile
CID 59141589
2-amino-4-[(E)-but-1-enyl]-6-sulfanylidene-1H-pyridine-3-carbonitrile
CID 70915048
3-Pyridinecarbonitrile, 2,4-diamino-1,6-dihydro-6-thioxo-
CID 11182818

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-6-sulfanylidene-1H-pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-methyl-6-sulfanylidene-1H-pyridine-3-carbonitrile (CID 101038088) is 2-amino-4-methyl-6-sulfanylidene-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-methyl-6-sulfanylidene-1H-pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-methyl-6-sulfanylidene-1H-pyridine-3-carbonitrile is Cc1cc(=S)[nH]c(N)c1C#N.
What is the InChIKey of 2-amino-4-methyl-6-sulfanylidene-1H-pyridine-3-carbonitrile?
The InChIKey is NUTFHOQZWLFJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3S/c1-4-2-6(11)10-7(9)5(4)3-8/h2H,1H3,(H3,9,10,11).
What are the key properties of 2-amino-4-methyl-6-sulfanylidene-1H-pyridine-3-carbonitrile?
2-amino-4-methyl-6-sulfanylidene-1H-pyridine-3-carbonitrile has a molecular weight of 165.22 g/mol, XLogP of 1.51, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-6-sulfanylidene-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 101038088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).