5-(2-amino-4-pyridinyl)-N-(dimethylamino-methylidene-oxo-λ6-sulfanyl)-2-methylpyridin-3-amine;ethane

C16H25N5OS — CID 144889150

IUPAC5-(2-amino-4-pyridinyl)-N-(dimethylamino-methylidene-oxo-λ6-sulfanyl)-2-methylpyridin-3-amine;ethane
SMILESC=S(=O)(Nc1cc(-c2ccnc(N)c2)cnc1C)N(C)C.CC
InChIInChI=1S/C14H19N5OS.C2H6/c1-10-13(18-21(4,20)19(2)3)7-12(9-17-10)11-5-6-16-14(15)8-11;1-2/h5-9H,4H2,1-3H3,(H2,15,16)(H,18,20);1-2H3
InChIKeyZOGKAQVDYDMZLX-UHFFFAOYSA-N
MW335.48 g/mol
LogP2.58
Rot. Bonds4

About 5-(2-amino-4-pyridinyl)-N-(dimethylamino-methylidene-oxo-λ6-sulfanyl)-2-methylpyridin-3-amine;ethane

5-(2-amino-4-pyridinyl)-N-(dimethylamino-methylidene-oxo-λ6-sulfanyl)-2-methylpyridin-3-amine;ethane (PubChem CID 144889150) has the molecular formula C16H25N5OS and a molecular weight of 335.48 g/mol. Its IUPAC name is 5-(2-amino-4-pyridinyl)-N-(dimethylamino-methylidene-oxo-λ6-sulfanyl)-2-methylpyridin-3-amine;ethane.

Molecular Properties

Compound Name5-(2-amino-4-pyridinyl)-N-(dimethylamino-methylidene-oxo-λ6-sulfanyl)-2-methylpyridin-3-amine;ethane
PubChem CID144889150
Molecular FormulaC16H25N5OS
Molecular Weight335.48 g/mol
Exact Mass335.18
IUPAC Name5-(2-amino-4-pyridinyl)-N-(dimethylamino-methylidene-oxo-λ6-sulfanyl)-2-methylpyridin-3-amine;ethane
SMILESC=S(=O)(Nc1cc(-c2ccnc(N)c2)cnc1C)N(C)C.CC
InChIInChI=1S/C14H19N5OS.C2H6/c1-10-13(18-21(4,20)19(2)3)7-12(9-17-10)11-5-6-16-14(15)8-11;1-2/h5-9H,4H2,1-3H3,(H2,15,16)(H,18,20);1-2H3
InChIKeyZOGKAQVDYDMZLX-UHFFFAOYSA-N
XLogP2.58
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.48
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(2-amino-4-pyridinyl)-N,N-dimethylpyridine-3-sulfonamide
CID 171678680
4-(3,4-dimethylphenyl)pyridin-2-amine
CID 82398202
N-[4-[5-[(3-tert-butylphenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide
CID 118293605
[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamoyl-methylideneoxidanium
CID 123927524
5-(2-amino-4-pyridinyl)pyridin-2-amine
CID 69116812
N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]pyrrolidine-1-sulfonamide
CID 152861408
N-[4-[5-[(2-fluoro-4-methylphenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide
CID 123714762
2,4-difluoro-N-[2-methyl-5-[2-[(1-methylpyrazol-3-yl)amino]-4-pyridinyl]-3-pyridinyl]benzenesulfonamide
CID 118249359
[5-(2-acetamido-4-pyridinyl)-2-methyl-3-pyridinyl] N,N-dimethylsulfamate
CID 123249562
4-[3-(dimethylamino)phenyl]pyridin-2-amine
CID 82556008
2-methyl-N-(N-methylanilino)sulfanyl-5-(2-methyl-4-pyridinyl)pyridin-3-amine
CID 144889411
N-[4-[5-[benzenesulfonyl(methyl)amino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide
CID 118293459

Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-4-pyridinyl)-N-(dimethylamino-methylidene-oxo-λ6-sulfanyl)-2-methylpyridin-3-amine;ethane?
The IUPAC name of 5-(2-amino-4-pyridinyl)-N-(dimethylamino-methylidene-oxo-λ6-sulfanyl)-2-methylpyridin-3-amine;ethane (CID 144889150) is 5-(2-amino-4-pyridinyl)-N-(dimethylamino-methylidene-oxo-λ6-sulfanyl)-2-methylpyridin-3-amine;ethane.
What is the SMILES notation for 5-(2-amino-4-pyridinyl)-N-(dimethylamino-methylidene-oxo-λ6-sulfanyl)-2-methylpyridin-3-amine;ethane?
The canonical SMILES for 5-(2-amino-4-pyridinyl)-N-(dimethylamino-methylidene-oxo-λ6-sulfanyl)-2-methylpyridin-3-amine;ethane is C=S(=O)(Nc1cc(-c2ccnc(N)c2)cnc1C)N(C)C.CC.
What is the InChIKey of 5-(2-amino-4-pyridinyl)-N-(dimethylamino-methylidene-oxo-λ6-sulfanyl)-2-methylpyridin-3-amine;ethane?
The InChIKey is ZOGKAQVDYDMZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS.C2H6/c1-10-13(18-21(4,20)19(2)3)7-12(9-17-10)11-5-6-16-14(15)8-11;1-2/h5-9H,4H2,1-3H3,(H2,15,16)(H,18,20);1-2H3.
What are the key properties of 5-(2-amino-4-pyridinyl)-N-(dimethylamino-methylidene-oxo-λ6-sulfanyl)-2-methylpyridin-3-amine;ethane?
5-(2-amino-4-pyridinyl)-N-(dimethylamino-methylidene-oxo-λ6-sulfanyl)-2-methylpyridin-3-amine;ethane has a molecular weight of 335.48 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-4-pyridinyl)-N-(dimethylamino-methylidene-oxo-λ6-sulfanyl)-2-methylpyridin-3-amine;ethane is sourced from PubChem (CID 144889150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).