1-(2-methylprop-2-enyl)-3-pyridin-2-ylthiourea

C10H13N3S — CID 780336

IUPAC1-(2-methylprop-2-enyl)-3-pyridin-2-ylthiourea
SMILESC=C(C)CNC(=S)Nc1ccccn1
InChIInChI=1S/C10H13N3S/c1-8(2)7-12-10(14)13-9-5-3-4-6-11-9/h3-6H,1,7H2,2H3,(H2,11,12,13,14)
InChIKeyPHBYXKMBARAIJL-UHFFFAOYSA-N
MW207.30 g/mol
LogP1.94
Rot. Bonds3

About 1-(2-methylprop-2-enyl)-3-pyridin-2-ylthiourea

1-(2-methylprop-2-enyl)-3-pyridin-2-ylthiourea (PubChem CID 780336) has the molecular formula C10H13N3S and a molecular weight of 207.30 g/mol. Its IUPAC name is 1-(2-methylprop-2-enyl)-3-pyridin-2-ylthiourea.

Molecular Properties

Compound Name1-(2-methylprop-2-enyl)-3-pyridin-2-ylthiourea
PubChem CID780336
Molecular FormulaC10H13N3S
Molecular Weight207.30 g/mol
Exact Mass207.08
IUPAC Name1-(2-methylprop-2-enyl)-3-pyridin-2-ylthiourea
SMILESC=C(C)CNC(=S)Nc1ccccn1
InChIInChI=1S/C10H13N3S/c1-8(2)7-12-10(14)13-9-5-3-4-6-11-9/h3-6H,1,7H2,2H3,(H2,11,12,13,14)
InChIKeyPHBYXKMBARAIJL-UHFFFAOYSA-N
XLogP1.94
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-pent-1-en-2-ylpyridin-2-amine
CID 129060161
1-(2-methylprop-2-enyl)-3-(4-phenylmethoxyphenyl)thiourea
CID 8619418
1-(2-piperidin-1-ylethyl)-3-pyridin-2-ylthiourea
CID 3002933
1-(2-methylprop-2-enyl)-3-(4-phenoxyphenyl)thiourea
CID 3625084
pyridin-2-ylthiourea
CID 1490491
1-[2-(3-methoxyphenyl)ethyl]-3-pyridin-2-ylthiourea
CID 19703834
N-(3-iodoprop-1-en-2-yl)pyridin-2-amine
CID 155022725
1-[2-(3-fluorophenyl)ethyl]-3-pyridin-2-ylthiourea
CID 19703456
1-(2-methylsulfanylphenyl)-3-pyridin-2-ylthiourea
CID 5249658
N-(2-acetamidoethyl)-N'-pyridin-2-yloxamide
CID 108525945
1-pyridin-2-yl-3-[2-(2,3,4-trifluorophenyl)ethyl]thiourea
CID 19703878
1-(2,3-dimethylphenyl)-3-pyridin-2-ylthiourea
CID 800382

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylprop-2-enyl)-3-pyridin-2-ylthiourea?
The IUPAC name of 1-(2-methylprop-2-enyl)-3-pyridin-2-ylthiourea (CID 780336) is 1-(2-methylprop-2-enyl)-3-pyridin-2-ylthiourea.
What is the SMILES notation for 1-(2-methylprop-2-enyl)-3-pyridin-2-ylthiourea?
The canonical SMILES for 1-(2-methylprop-2-enyl)-3-pyridin-2-ylthiourea is C=C(C)CNC(=S)Nc1ccccn1.
What is the InChIKey of 1-(2-methylprop-2-enyl)-3-pyridin-2-ylthiourea?
The InChIKey is PHBYXKMBARAIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3S/c1-8(2)7-12-10(14)13-9-5-3-4-6-11-9/h3-6H,1,7H2,2H3,(H2,11,12,13,14).
What are the key properties of 1-(2-methylprop-2-enyl)-3-pyridin-2-ylthiourea?
1-(2-methylprop-2-enyl)-3-pyridin-2-ylthiourea has a molecular weight of 207.30 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylprop-2-enyl)-3-pyridin-2-ylthiourea is sourced from PubChem (CID 780336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).