1,1-diethyl-3-pyridin-3-ylthiourea

C10H15N3S — CID 60640914

IUPAC1,1-diethyl-3-pyridin-3-ylthiourea
SMILESCCN(CC)C(=S)Nc1cccnc1
InChIInChI=1S/C10H15N3S/c1-3-13(4-2)10(14)12-9-6-5-7-11-8-9/h5-8H,3-4H2,1-2H3,(H,12,14)
InChIKeyOMKZFPWBGPDOBD-UHFFFAOYSA-N
MW209.32 g/mol
LogP2.12
Rot. Bonds3

About 1,1-diethyl-3-pyridin-3-ylthiourea

1,1-diethyl-3-pyridin-3-ylthiourea (PubChem CID 60640914) has the molecular formula C10H15N3S and a molecular weight of 209.32 g/mol. Its IUPAC name is 1,1-diethyl-3-pyridin-3-ylthiourea.

Molecular Properties

Compound Name1,1-diethyl-3-pyridin-3-ylthiourea
PubChem CID60640914
Molecular FormulaC10H15N3S
Molecular Weight209.32 g/mol
Exact Mass209.10
IUPAC Name1,1-diethyl-3-pyridin-3-ylthiourea
SMILESCCN(CC)C(=S)Nc1cccnc1
InChIInChI=1S/C10H15N3S/c1-3-13(4-2)10(14)12-9-6-5-7-11-8-9/h5-8H,3-4H2,1-2H3,(H,12,14)
InChIKeyOMKZFPWBGPDOBD-UHFFFAOYSA-N
XLogP2.12
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.32
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,1-diethyl-3-pyridin-3-ylthiourea 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

3-[ethyl(pyridin-3-ylcarbamoyl)amino]propanoic acid
CID 61187084
1-ethyl-1-hydroxy-3-pyridin-3-ylurea
CID 130385554
1,1-diethyl-3-methylurea;ethane;1-methyl-3-pyridin-3-ylurea
CID 143767682
molecular hydrogen;N-pyridin-3-ylethanethioamide
CID 143306027
pyridin-3-ylthiourea
CID 2760515
1,1-diethyl-3-(3-ethylphenyl)thiourea
CID 43384839
N-(3-methylbut-2-en-2-yl)pyridin-3-amine
CID 58929048
3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]-1-(pyridin-3-ylmethyl)thiourea
CID 4070113
1-benzyl-1-ethyl-3-phenylthiourea
CID 3561753
N'-tert-butyl-N'-ethyl-N-pyridin-3-yloxamide
CID 108526028
1-prop-2-ynyl-3-pyridin-3-ylthiourea
CID 130744162
1-[(2,6-dimethylphenyl)methyl]-1-ethyl-3-pyridin-4-ylthiourea
CID 3399862

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-3-pyridin-3-ylthiourea?
The IUPAC name of 1,1-diethyl-3-pyridin-3-ylthiourea (CID 60640914) is 1,1-diethyl-3-pyridin-3-ylthiourea.
What is the SMILES notation for 1,1-diethyl-3-pyridin-3-ylthiourea?
The canonical SMILES for 1,1-diethyl-3-pyridin-3-ylthiourea is CCN(CC)C(=S)Nc1cccnc1.
What is the InChIKey of 1,1-diethyl-3-pyridin-3-ylthiourea?
The InChIKey is OMKZFPWBGPDOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3S/c1-3-13(4-2)10(14)12-9-6-5-7-11-8-9/h5-8H,3-4H2,1-2H3,(H,12,14).
What are the key properties of 1,1-diethyl-3-pyridin-3-ylthiourea?
1,1-diethyl-3-pyridin-3-ylthiourea has a molecular weight of 209.32 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-3-pyridin-3-ylthiourea is sourced from PubChem (CID 60640914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).