1-propyl-3-(pyridin-3-ylmethyl)thiourea

C10H15N3S — CID 19686579

IUPAC1-propyl-3-(pyridin-3-ylmethyl)thiourea
SMILESCCCNC(=S)NCc1cccnc1
InChIInChI=1S/C10H15N3S/c1-2-5-12-10(14)13-8-9-4-3-6-11-7-9/h3-4,6-7H,2,5,8H2,1H3,(H2,12,13,14)
InChIKeyFWRYATVELTVRAL-UHFFFAOYSA-N
MW209.32 g/mol
LogP1.46
Rot. Bonds4

About 1-propyl-3-(pyridin-3-ylmethyl)thiourea

1-propyl-3-(pyridin-3-ylmethyl)thiourea (PubChem CID 19686579) has the molecular formula C10H15N3S and a molecular weight of 209.32 g/mol. Its IUPAC name is 1-propyl-3-(pyridin-3-ylmethyl)thiourea.

Molecular Properties

Compound Name1-propyl-3-(pyridin-3-ylmethyl)thiourea
PubChem CID19686579
Molecular FormulaC10H15N3S
Molecular Weight209.32 g/mol
Exact Mass209.10
IUPAC Name1-propyl-3-(pyridin-3-ylmethyl)thiourea
SMILESCCCNC(=S)NCc1cccnc1
InChIInChI=1S/C10H15N3S/c1-2-5-12-10(14)13-8-9-4-3-6-11-7-9/h3-4,6-7H,2,5,8H2,1H3,(H2,12,13,14)
InChIKeyFWRYATVELTVRAL-UHFFFAOYSA-N
XLogP1.46
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.32
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-propyl-3-(pyridin-3-ylmethyl)thiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzyl-3-propylthiourea
CID 12725927
1-phenyl-3-(pyridin-3-ylmethyl)thiourea
CID 804302
N-butyl-N'-(pyridin-3-ylmethyl)oxamide
CID 21212895
N-[4-(pyridin-3-ylmethylcarbamothioylamino)phenyl]acetamide
CID 7678953
1-(naphthalen-1-ylmethyl)-3-(pyridin-3-ylmethyl)thiourea
CID 23822085
1-N-propyl-1-N'-(pyridin-3-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108970227
1,1-dimethyl-3-(pyridin-3-ylmethyl)thiourea
CID 2731465
1-cyclopropyl-3-(pyridin-3-ylmethyl)thiourea
CID 972429
pyridin-3-ylmethylcarbamodithioic acid;hydrochloride
CID 89413120
1-(1-phenylethyl)-3-(pyridin-3-ylmethyl)thiourea
CID 19686584
1-[(3-fluorophenyl)methyl]-3-propylthiourea
CID 115579624
1-propyl-3-(2-pyridin-3-ylethyl)urea
CID 115578203

Frequently Asked Questions

What is the IUPAC name of 1-propyl-3-(pyridin-3-ylmethyl)thiourea?
The IUPAC name of 1-propyl-3-(pyridin-3-ylmethyl)thiourea (CID 19686579) is 1-propyl-3-(pyridin-3-ylmethyl)thiourea.
What is the SMILES notation for 1-propyl-3-(pyridin-3-ylmethyl)thiourea?
The canonical SMILES for 1-propyl-3-(pyridin-3-ylmethyl)thiourea is CCCNC(=S)NCc1cccnc1.
What is the InChIKey of 1-propyl-3-(pyridin-3-ylmethyl)thiourea?
The InChIKey is FWRYATVELTVRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3S/c1-2-5-12-10(14)13-8-9-4-3-6-11-7-9/h3-4,6-7H,2,5,8H2,1H3,(H2,12,13,14).
What are the key properties of 1-propyl-3-(pyridin-3-ylmethyl)thiourea?
1-propyl-3-(pyridin-3-ylmethyl)thiourea has a molecular weight of 209.32 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-3-(pyridin-3-ylmethyl)thiourea is sourced from PubChem (CID 19686579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).