3-N-ethyl-5-N-(1-oxothian-4-yl)pyridine-3,5-diamine

C12H19N3OS — CID 113480725

IUPAC3-N-ethyl-5-N-(1-oxothian-4-yl)pyridine-3,5-diamine
SMILESCCNc1cncc(NC2CCS(=O)CC2)c1
InChIInChI=1S/C12H19N3OS/c1-2-14-11-7-12(9-13-8-11)15-10-3-5-17(16)6-4-10/h7-10,14-15H,2-6H2,1H3
InChIKeyUHDNRWFJALICNJ-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.84
Rot. Bonds4

About 3-N-ethyl-5-N-(1-oxothian-4-yl)pyridine-3,5-diamine

3-N-ethyl-5-N-(1-oxothian-4-yl)pyridine-3,5-diamine (PubChem CID 113480725) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 3-N-ethyl-5-N-(1-oxothian-4-yl)pyridine-3,5-diamine.

Molecular Properties

Compound Name3-N-ethyl-5-N-(1-oxothian-4-yl)pyridine-3,5-diamine
PubChem CID113480725
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name3-N-ethyl-5-N-(1-oxothian-4-yl)pyridine-3,5-diamine
SMILESCCNc1cncc(NC2CCS(=O)CC2)c1
InChIInChI=1S/C12H19N3OS/c1-2-14-11-7-12(9-13-8-11)15-10-3-5-17(16)6-4-10/h7-10,14-15H,2-6H2,1H3
InChIKeyUHDNRWFJALICNJ-UHFFFAOYSA-N
XLogP1.84
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-ethyl-5-N-(4-ethylcyclohexyl)pyridine-3,5-diamine
CID 104533446
5-N-(3,5-dimethylcyclohexyl)-3-N-ethylpyridine-3,5-diamine
CID 113424089
5-N-(1,1-dioxothian-4-yl)-3-N-propylpyridine-3,5-diamine
CID 104533086
3-N-ethyl-5-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-3,5-diamine
CID 113424144
3-N-ethyl-5-N-(2-methylcycloheptyl)pyridine-3,5-diamine
CID 104535082
3-N-propyl-5-N-(1-propylpiperidin-4-yl)pyridine-3,5-diamine
CID 104533592
5-N-ethylpyridine-3,5-diamine
CID 104532571
5-N-(1-cyclohexylpropyl)-3-N-ethylpyridine-3,5-diamine
CID 104534251
1-(2-methoxyethyl)-N-(1-oxothian-4-yl)pyrazol-4-amine
CID 54981333
1-oxo-N-(3,4,5-trifluorophenyl)thian-4-amine
CID 62808780
5-N-butyl-3-N-ethylpyridine-3,5-diamine
CID 104532629
3-N-ethyl-5-N-(2-ethylsulfonylethyl)pyridine-3,5-diamine
CID 114112659

Frequently Asked Questions

What is the IUPAC name of 3-N-ethyl-5-N-(1-oxothian-4-yl)pyridine-3,5-diamine?
The IUPAC name of 3-N-ethyl-5-N-(1-oxothian-4-yl)pyridine-3,5-diamine (CID 113480725) is 3-N-ethyl-5-N-(1-oxothian-4-yl)pyridine-3,5-diamine.
What is the SMILES notation for 3-N-ethyl-5-N-(1-oxothian-4-yl)pyridine-3,5-diamine?
The canonical SMILES for 3-N-ethyl-5-N-(1-oxothian-4-yl)pyridine-3,5-diamine is CCNc1cncc(NC2CCS(=O)CC2)c1.
What is the InChIKey of 3-N-ethyl-5-N-(1-oxothian-4-yl)pyridine-3,5-diamine?
The InChIKey is UHDNRWFJALICNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-2-14-11-7-12(9-13-8-11)15-10-3-5-17(16)6-4-10/h7-10,14-15H,2-6H2,1H3.
What are the key properties of 3-N-ethyl-5-N-(1-oxothian-4-yl)pyridine-3,5-diamine?
3-N-ethyl-5-N-(1-oxothian-4-yl)pyridine-3,5-diamine has a molecular weight of 253.37 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-ethyl-5-N-(1-oxothian-4-yl)pyridine-3,5-diamine is sourced from PubChem (CID 113480725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).