2-amino-2-pyridin-2-ylethanethial

C7H8N2S — CID 87216139

IUPAC2-amino-2-pyridin-2-ylethanethial
SMILESNC(C=S)c1ccccn1
InChIInChI=1S/C7H8N2S/c8-6(5-10)7-3-1-2-4-9-7/h1-6H,8H2
InChIKeyHRAOLNKQOQQPEL-UHFFFAOYSA-N
MW152.22 g/mol
LogP1.08
Rot. Bonds2

About 2-amino-2-pyridin-2-ylethanethial

2-amino-2-pyridin-2-ylethanethial (PubChem CID 87216139) has the molecular formula C7H8N2S and a molecular weight of 152.22 g/mol. Its IUPAC name is 2-amino-2-pyridin-2-ylethanethial.

Molecular Properties

Compound Name2-amino-2-pyridin-2-ylethanethial
PubChem CID87216139
Molecular FormulaC7H8N2S
Molecular Weight152.22 g/mol
Exact Mass152.04
IUPAC Name2-amino-2-pyridin-2-ylethanethial
SMILESNC(C=S)c1ccccn1
InChIInChI=1S/C7H8N2S/c8-6(5-10)7-3-1-2-4-9-7/h1-6H,8H2
InChIKeyHRAOLNKQOQQPEL-UHFFFAOYSA-N
XLogP1.08
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.22
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

chloro(pyridin-2-yl)methanamine
CID 22075524
2,2,2-trifluoro-1-pyridin-2-ylethanamine
CID 25219911
(1S)-1-pyridin-2-ylpropan-1-amine;dihydrochloride
CID 122236499
2-(dipyridin-2-ylmethyl)pyridine
CID 10332212
(3R)-3-pyridin-2-ylbutan-2-amine
CID 140704268
(1R,2S)-1-pyridin-2-ylpropane-1,2-diamine
CID 131142947
(1S)-3,3-dimethyl-1-pyridin-2-ylbutan-1-amine
CID 99737676
N-methylmethanamine;1-pyridin-2-ylethanamine
CID 143812006
(1R)-2-methyl-1-pyridin-2-ylpropan-1-amine;dihydrochloride
CID 86767543
2,2-dipyridin-2-ylethanethioamide
CID 3035355
(2S)-2-amino-2-pyridin-2-ylethanol
CID 55278064
2-N,2-dimethyl-1-pyridin-2-ylpropane-1,2-diamine
CID 116938957

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-pyridin-2-ylethanethial?
The IUPAC name of 2-amino-2-pyridin-2-ylethanethial (CID 87216139) is 2-amino-2-pyridin-2-ylethanethial.
What is the SMILES notation for 2-amino-2-pyridin-2-ylethanethial?
The canonical SMILES for 2-amino-2-pyridin-2-ylethanethial is NC(C=S)c1ccccn1.
What is the InChIKey of 2-amino-2-pyridin-2-ylethanethial?
The InChIKey is HRAOLNKQOQQPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2S/c8-6(5-10)7-3-1-2-4-9-7/h1-6H,8H2.
What are the key properties of 2-amino-2-pyridin-2-ylethanethial?
2-amino-2-pyridin-2-ylethanethial has a molecular weight of 152.22 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-pyridin-2-ylethanethial is sourced from PubChem (CID 87216139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).