N-methyl-4-nitro-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyridin-2-amine

C8H7N5O2S2 — CID 114071375

IUPACN-methyl-4-nitro-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyridin-2-amine
SMILESCNc1cc([N+](=O)[O-])cc(Sc2nncs2)n1
InChIInChI=1S/C8H7N5O2S2/c1-9-6-2-5(13(14)15)3-7(11-6)17-8-12-10-4-16-8/h2-4H,1H3,(H,9,11)
InChIKeyVFBQZFKBOKBUJD-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.03
Rot. Bonds4

About N-methyl-4-nitro-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyridin-2-amine

N-methyl-4-nitro-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyridin-2-amine (PubChem CID 114071375) has the molecular formula C8H7N5O2S2 and a molecular weight of 269.31 g/mol. Its IUPAC name is N-methyl-4-nitro-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-4-nitro-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyridin-2-amine
PubChem CID114071375
Molecular FormulaC8H7N5O2S2
Molecular Weight269.31 g/mol
Exact Mass269.00
IUPAC NameN-methyl-4-nitro-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyridin-2-amine
SMILESCNc1cc([N+](=O)[O-])cc(Sc2nncs2)n1
InChIInChI=1S/C8H7N5O2S2/c1-9-6-2-5(13(14)15)3-7(11-6)17-8-12-10-4-16-8/h2-4H,1H3,(H,9,11)
InChIKeyVFBQZFKBOKBUJD-UHFFFAOYSA-N
XLogP2.03
TPSA93.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-nitro-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyridin-2-amine?
The IUPAC name of N-methyl-4-nitro-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyridin-2-amine (CID 114071375) is N-methyl-4-nitro-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyridin-2-amine.
What is the SMILES notation for N-methyl-4-nitro-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyridin-2-amine?
The canonical SMILES for N-methyl-4-nitro-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyridin-2-amine is CNc1cc([N+](=O)[O-])cc(Sc2nncs2)n1.
What is the InChIKey of N-methyl-4-nitro-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyridin-2-amine?
The InChIKey is VFBQZFKBOKBUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N5O2S2/c1-9-6-2-5(13(14)15)3-7(11-6)17-8-12-10-4-16-8/h2-4H,1H3,(H,9,11).
What are the key properties of N-methyl-4-nitro-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyridin-2-amine?
N-methyl-4-nitro-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyridin-2-amine has a molecular weight of 269.31 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-nitro-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyridin-2-amine is sourced from PubChem (CID 114071375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).