4,5-dimethyl-2-sulfanylidene-1H-pyridine-3-carboxamide

C8H10N2OS — CID 174881331

IUPAC4,5-dimethyl-2-sulfanylidene-1H-pyridine-3-carboxamide
SMILESCc1c[nH]c(=S)c(C(N)=O)c1C
InChIInChI=1S/C8H10N2OS/c1-4-3-10-8(12)6(5(4)2)7(9)11/h3H,1-2H3,(H2,9,11)(H,10,12)
InChIKeyFTIDPHMCQQEFKZ-UHFFFAOYSA-N
MW182.25 g/mol
LogP1.46
Rot. Bonds1

About 4,5-dimethyl-2-sulfanylidene-1H-pyridine-3-carboxamide

4,5-dimethyl-2-sulfanylidene-1H-pyridine-3-carboxamide (PubChem CID 174881331) has the molecular formula C8H10N2OS and a molecular weight of 182.25 g/mol. Its IUPAC name is 4,5-dimethyl-2-sulfanylidene-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name4,5-dimethyl-2-sulfanylidene-1H-pyridine-3-carboxamide
PubChem CID174881331
Molecular FormulaC8H10N2OS
Molecular Weight182.25 g/mol
Exact Mass182.05
IUPAC Name4,5-dimethyl-2-sulfanylidene-1H-pyridine-3-carboxamide
SMILESCc1c[nH]c(=S)c(C(N)=O)c1C
InChIInChI=1S/C8H10N2OS/c1-4-3-10-8(12)6(5(4)2)7(9)11/h3H,1-2H3,(H2,9,11)(H,10,12)
InChIKeyFTIDPHMCQQEFKZ-UHFFFAOYSA-N
XLogP1.46
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.25
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-sulfanylidene-1H-pyridine-3-carboxamide?
The IUPAC name of 4,5-dimethyl-2-sulfanylidene-1H-pyridine-3-carboxamide (CID 174881331) is 4,5-dimethyl-2-sulfanylidene-1H-pyridine-3-carboxamide.
What is the SMILES notation for 4,5-dimethyl-2-sulfanylidene-1H-pyridine-3-carboxamide?
The canonical SMILES for 4,5-dimethyl-2-sulfanylidene-1H-pyridine-3-carboxamide is Cc1c[nH]c(=S)c(C(N)=O)c1C.
What is the InChIKey of 4,5-dimethyl-2-sulfanylidene-1H-pyridine-3-carboxamide?
The InChIKey is FTIDPHMCQQEFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2OS/c1-4-3-10-8(12)6(5(4)2)7(9)11/h3H,1-2H3,(H2,9,11)(H,10,12).
What are the key properties of 4,5-dimethyl-2-sulfanylidene-1H-pyridine-3-carboxamide?
4,5-dimethyl-2-sulfanylidene-1H-pyridine-3-carboxamide has a molecular weight of 182.25 g/mol, XLogP of 1.46, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-sulfanylidene-1H-pyridine-3-carboxamide is sourced from PubChem (CID 174881331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).