1-(6-amino-2-pyridinyl)-3-(2-methylprop-2-enyl)thiourea

C10H14N4S — CID 1265108

IUPAC1-(6-amino-2-pyridinyl)-3-(2-methylprop-2-enyl)thiourea
SMILESC=C(C)CNC(=S)Nc1cccc(N)n1
InChIInChI=1S/C10H14N4S/c1-7(2)6-12-10(15)14-9-5-3-4-8(11)13-9/h3-5H,1,6H2,2H3,(H4,11,12,13,14,15)
InChIKeyWMTCAESMDUPUHW-UHFFFAOYSA-N
MW222.32 g/mol
LogP1.53
Rot. Bonds3

About 1-(6-amino-2-pyridinyl)-3-(2-methylprop-2-enyl)thiourea

1-(6-amino-2-pyridinyl)-3-(2-methylprop-2-enyl)thiourea (PubChem CID 1265108) has the molecular formula C10H14N4S and a molecular weight of 222.32 g/mol. Its IUPAC name is 1-(6-amino-2-pyridinyl)-3-(2-methylprop-2-enyl)thiourea.

Molecular Properties

Compound Name1-(6-amino-2-pyridinyl)-3-(2-methylprop-2-enyl)thiourea
PubChem CID1265108
Molecular FormulaC10H14N4S
Molecular Weight222.32 g/mol
Exact Mass222.09
IUPAC Name1-(6-amino-2-pyridinyl)-3-(2-methylprop-2-enyl)thiourea
SMILESC=C(C)CNC(=S)Nc1cccc(N)n1
InChIInChI=1S/C10H14N4S/c1-7(2)6-12-10(15)14-9-5-3-4-8(11)13-9/h3-5H,1,6H2,2H3,(H4,11,12,13,14,15)
InChIKeyWMTCAESMDUPUHW-UHFFFAOYSA-N
XLogP1.53
TPSA62.97 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.32
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-2-pyridinyl)-3-(2-methylprop-2-enyl)thiourea?
The IUPAC name of 1-(6-amino-2-pyridinyl)-3-(2-methylprop-2-enyl)thiourea (CID 1265108) is 1-(6-amino-2-pyridinyl)-3-(2-methylprop-2-enyl)thiourea.
What is the SMILES notation for 1-(6-amino-2-pyridinyl)-3-(2-methylprop-2-enyl)thiourea?
The canonical SMILES for 1-(6-amino-2-pyridinyl)-3-(2-methylprop-2-enyl)thiourea is C=C(C)CNC(=S)Nc1cccc(N)n1.
What is the InChIKey of 1-(6-amino-2-pyridinyl)-3-(2-methylprop-2-enyl)thiourea?
The InChIKey is WMTCAESMDUPUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4S/c1-7(2)6-12-10(15)14-9-5-3-4-8(11)13-9/h3-5H,1,6H2,2H3,(H4,11,12,13,14,15).
What are the key properties of 1-(6-amino-2-pyridinyl)-3-(2-methylprop-2-enyl)thiourea?
1-(6-amino-2-pyridinyl)-3-(2-methylprop-2-enyl)thiourea has a molecular weight of 222.32 g/mol, XLogP of 1.53, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-2-pyridinyl)-3-(2-methylprop-2-enyl)thiourea is sourced from PubChem (CID 1265108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).