1-(2,3-dimethylphenyl)-3-pyridin-2-ylthiourea

C14H15N3S — CID 800382

IUPAC1-(2,3-dimethylphenyl)-3-pyridin-2-ylthiourea
SMILESCc1cccc(NC(=S)Nc2ccccn2)c1C
InChIInChI=1S/C14H15N3S/c1-10-6-5-7-12(11(10)2)16-14(18)17-13-8-3-4-9-15-13/h3-9H,1-2H3,(H2,15,16,17,18)
InChIKeyRJZBINCECOVLGV-UHFFFAOYSA-N
MW257.36 g/mol
LogP3.51
Rot. Bonds2

About 1-(2,3-dimethylphenyl)-3-pyridin-2-ylthiourea

1-(2,3-dimethylphenyl)-3-pyridin-2-ylthiourea (PubChem CID 800382) has the molecular formula C14H15N3S and a molecular weight of 257.36 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-3-pyridin-2-ylthiourea.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-3-pyridin-2-ylthiourea
PubChem CID800382
Molecular FormulaC14H15N3S
Molecular Weight257.36 g/mol
Exact Mass257.10
IUPAC Name1-(2,3-dimethylphenyl)-3-pyridin-2-ylthiourea
SMILESCc1cccc(NC(=S)Nc2ccccn2)c1C
InChIInChI=1S/C14H15N3S/c1-10-6-5-7-12(11(10)2)16-14(18)17-13-8-3-4-9-15-13/h3-9H,1-2H3,(H2,15,16,17,18)
InChIKeyRJZBINCECOVLGV-UHFFFAOYSA-N
XLogP3.51
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2,3-dimethylphenyl)-3-pyridin-2-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

1-(2-methylsulfanylphenyl)-3-pyridin-2-ylthiourea
CID 5249658
1-(2-chloro-6-methylphenyl)-3-pyridin-2-ylthiourea
CID 10683964
1-(2,3-dimethylphenyl)-3-ethylthiourea
CID 4930198
1-benzyl-3-(2,3-dimethylphenyl)thiourea
CID 799294
1-(2,3-dimethylphenyl)-3-(1,3-dimethylpyrazol-4-yl)thiourea
CID 19342847
1-(2-methylphenyl)-3-[2-[(2-methylphenyl)carbamothioylamino]phenyl]thiourea
CID 71419304
N-(2,3-dimethylphenyl)-2-pyridin-2-ylacetamide
CID 110696972
N-(2,3-dimethylphenyl)-N'-pyrimidin-2-yloxamide
CID 44996588
1-(2-chloro-3-pyridinyl)-3-(2,6-dimethylphenyl)thiourea
CID 23857093
1-(2,3-dimethylphenyl)-3-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]thiourea
CID 19396989
1-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-(2,3-dimethylphenyl)thiourea
CID 19403734
1-(2,3-dimethylphenyl)-3-(ethylcarbamothioylamino)thiourea
CID 7941891

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-3-pyridin-2-ylthiourea?
The IUPAC name of 1-(2,3-dimethylphenyl)-3-pyridin-2-ylthiourea (CID 800382) is 1-(2,3-dimethylphenyl)-3-pyridin-2-ylthiourea.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-3-pyridin-2-ylthiourea?
The canonical SMILES for 1-(2,3-dimethylphenyl)-3-pyridin-2-ylthiourea is Cc1cccc(NC(=S)Nc2ccccn2)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-3-pyridin-2-ylthiourea?
The InChIKey is RJZBINCECOVLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3S/c1-10-6-5-7-12(11(10)2)16-14(18)17-13-8-3-4-9-15-13/h3-9H,1-2H3,(H2,15,16,17,18).
What are the key properties of 1-(2,3-dimethylphenyl)-3-pyridin-2-ylthiourea?
1-(2,3-dimethylphenyl)-3-pyridin-2-ylthiourea has a molecular weight of 257.36 g/mol, XLogP of 3.51, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-3-pyridin-2-ylthiourea is sourced from PubChem (CID 800382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).