N-(1,1-dioxothian-3-yl)-5-pyridin-2-yl-1H-pyrazol-4-amine

C13H16N4O2S — CID 154770886

IUPACN-(1,1-dioxothian-3-yl)-5-pyridin-2-yl-1H-pyrazol-4-amine
SMILESO=S1(=O)CCCC(Nc2cn[nH]c2-c2ccccn2)C1
InChIInChI=1S/C13H16N4O2S/c18-20(19)7-3-4-10(9-20)16-12-8-15-17-13(12)11-5-1-2-6-14-11/h1-2,5-6,8,10,16H,3-4,7,9H2,(H,15,17)
InChIKeyQHNXMINKZCEHIY-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.46
Rot. Bonds3

About N-(1,1-dioxothian-3-yl)-5-pyridin-2-yl-1H-pyrazol-4-amine

N-(1,1-dioxothian-3-yl)-5-pyridin-2-yl-1H-pyrazol-4-amine (PubChem CID 154770886) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is N-(1,1-dioxothian-3-yl)-5-pyridin-2-yl-1H-pyrazol-4-amine.

Molecular Properties

Compound NameN-(1,1-dioxothian-3-yl)-5-pyridin-2-yl-1H-pyrazol-4-amine
PubChem CID154770886
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC NameN-(1,1-dioxothian-3-yl)-5-pyridin-2-yl-1H-pyrazol-4-amine
SMILESO=S1(=O)CCCC(Nc2cn[nH]c2-c2ccccn2)C1
InChIInChI=1S/C13H16N4O2S/c18-20(19)7-3-4-10(9-20)16-12-8-15-17-13(12)11-5-1-2-6-14-11/h1-2,5-6,8,10,16H,3-4,7,9H2,(H,15,17)
InChIKeyQHNXMINKZCEHIY-UHFFFAOYSA-N
XLogP1.46
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chlorophenyl)-1,1-dioxothian-3-amine
CID 63910258
3-bromo-N-(1,1-dioxothian-3-yl)pyridin-2-amine
CID 63922588
N-(2-tert-butylphenyl)-1,1-dioxothian-3-amine
CID 63911828
N-(1,1-dioxothiolan-3-yl)-5-pyridin-2-yl-1,3,4-oxadiazol-2-amine
CID 110456253
N-(4-fluorophenyl)-1,1-dioxothian-3-amine
CID 63910257
3,5-dimethyl-N-[2-oxo-2-[(5-pyridin-2-yl-1H-pyrazol-4-yl)amino]ethyl]benzamide
CID 86796993
N-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 75384389
N-(1,1-dioxothian-3-yl)quinoxalin-6-amine
CID 63923027
N-(1,1-dioxothian-3-yl)-3-(trifluoromethyl)pyridin-2-amine
CID 63922973
N-(2-methyl-3-nitrophenyl)-1,1-dioxothian-3-amine
CID 63909898
4-[(1,1-dioxothian-3-yl)amino]benzenesulfonamide
CID 63908905
2-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine-2,5-diamine
CID 59376329

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothian-3-yl)-5-pyridin-2-yl-1H-pyrazol-4-amine?
The IUPAC name of N-(1,1-dioxothian-3-yl)-5-pyridin-2-yl-1H-pyrazol-4-amine (CID 154770886) is N-(1,1-dioxothian-3-yl)-5-pyridin-2-yl-1H-pyrazol-4-amine.
What is the SMILES notation for N-(1,1-dioxothian-3-yl)-5-pyridin-2-yl-1H-pyrazol-4-amine?
The canonical SMILES for N-(1,1-dioxothian-3-yl)-5-pyridin-2-yl-1H-pyrazol-4-amine is O=S1(=O)CCCC(Nc2cn[nH]c2-c2ccccn2)C1.
What is the InChIKey of N-(1,1-dioxothian-3-yl)-5-pyridin-2-yl-1H-pyrazol-4-amine?
The InChIKey is QHNXMINKZCEHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c18-20(19)7-3-4-10(9-20)16-12-8-15-17-13(12)11-5-1-2-6-14-11/h1-2,5-6,8,10,16H,3-4,7,9H2,(H,15,17).
What are the key properties of N-(1,1-dioxothian-3-yl)-5-pyridin-2-yl-1H-pyrazol-4-amine?
N-(1,1-dioxothian-3-yl)-5-pyridin-2-yl-1H-pyrazol-4-amine has a molecular weight of 292.36 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothian-3-yl)-5-pyridin-2-yl-1H-pyrazol-4-amine is sourced from PubChem (CID 154770886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).