1-prop-2-enyl-3-(pyridine-2-carbonylamino)thiourea

C10H12N4OS — CID 2825038

IUPAC1-prop-2-enyl-3-(pyridine-2-carbonylamino)thiourea
SMILESC=CCNC(=S)NNC(=O)c1ccccn1
InChIInChI=1S/C10H12N4OS/c1-2-6-12-10(16)14-13-9(15)8-5-3-4-7-11-8/h2-5,7H,1,6H2,(H,13,15)(H2,12,14,16)
InChIKeyNVNLKPZDTIGAHN-UHFFFAOYSA-N
MW236.30 g/mol
LogP0.38
Rot. Bonds3

About 1-prop-2-enyl-3-(pyridine-2-carbonylamino)thiourea

1-prop-2-enyl-3-(pyridine-2-carbonylamino)thiourea (PubChem CID 2825038) has the molecular formula C10H12N4OS and a molecular weight of 236.30 g/mol. Its IUPAC name is 1-prop-2-enyl-3-(pyridine-2-carbonylamino)thiourea.

Molecular Properties

Compound Name1-prop-2-enyl-3-(pyridine-2-carbonylamino)thiourea
PubChem CID2825038
Molecular FormulaC10H12N4OS
Molecular Weight236.30 g/mol
Exact Mass236.07
IUPAC Name1-prop-2-enyl-3-(pyridine-2-carbonylamino)thiourea
SMILESC=CCNC(=S)NNC(=O)c1ccccn1
InChIInChI=1S/C10H12N4OS/c1-2-6-12-10(16)14-13-9(15)8-5-3-4-7-11-8/h2-5,7H,1,6H2,(H,13,15)(H2,12,14,16)
InChIKeyNVNLKPZDTIGAHN-UHFFFAOYSA-N
XLogP0.38
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enyl-3-(pyridine-2-carbonylamino)thiourea?
The IUPAC name of 1-prop-2-enyl-3-(pyridine-2-carbonylamino)thiourea (CID 2825038) is 1-prop-2-enyl-3-(pyridine-2-carbonylamino)thiourea.
What is the SMILES notation for 1-prop-2-enyl-3-(pyridine-2-carbonylamino)thiourea?
The canonical SMILES for 1-prop-2-enyl-3-(pyridine-2-carbonylamino)thiourea is C=CCNC(=S)NNC(=O)c1ccccn1.
What is the InChIKey of 1-prop-2-enyl-3-(pyridine-2-carbonylamino)thiourea?
The InChIKey is NVNLKPZDTIGAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4OS/c1-2-6-12-10(16)14-13-9(15)8-5-3-4-7-11-8/h2-5,7H,1,6H2,(H,13,15)(H2,12,14,16).
What are the key properties of 1-prop-2-enyl-3-(pyridine-2-carbonylamino)thiourea?
1-prop-2-enyl-3-(pyridine-2-carbonylamino)thiourea has a molecular weight of 236.30 g/mol, XLogP of 0.38, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-3-(pyridine-2-carbonylamino)thiourea is sourced from PubChem (CID 2825038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).