1-methyl-3-phenyl-1-(pyridin-2-ylmethyl)thiourea

C14H15N3S — CID 115587724

IUPAC1-methyl-3-phenyl-1-(pyridin-2-ylmethyl)thiourea
SMILESCN(Cc1ccccn1)C(=S)Nc1ccccc1
InChIInChI=1S/C14H15N3S/c1-17(11-13-9-5-6-10-15-13)14(18)16-12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,16,18)
InChIKeyYMWSTWADKVQWKD-UHFFFAOYSA-N
MW257.36 g/mol
LogP2.91
Rot. Bonds3

About 1-methyl-3-phenyl-1-(pyridin-2-ylmethyl)thiourea

1-methyl-3-phenyl-1-(pyridin-2-ylmethyl)thiourea (PubChem CID 115587724) has the molecular formula C14H15N3S and a molecular weight of 257.36 g/mol. Its IUPAC name is 1-methyl-3-phenyl-1-(pyridin-2-ylmethyl)thiourea.

Molecular Properties

Compound Name1-methyl-3-phenyl-1-(pyridin-2-ylmethyl)thiourea
PubChem CID115587724
Molecular FormulaC14H15N3S
Molecular Weight257.36 g/mol
Exact Mass257.10
IUPAC Name1-methyl-3-phenyl-1-(pyridin-2-ylmethyl)thiourea
SMILESCN(Cc1ccccn1)C(=S)Nc1ccccc1
InChIInChI=1S/C14H15N3S/c1-17(11-13-9-5-6-10-15-13)14(18)16-12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,16,18)
InChIKeyYMWSTWADKVQWKD-UHFFFAOYSA-N
XLogP2.91
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-methyl-3-phenyl-1-(pyridin-2-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

3-(4-tert-butylphenyl)-1,1-bis(pyridin-2-ylmethyl)thiourea
CID 23789776
1-methyl-3-phenyl-1-(1H-1,2,4-triazol-5-ylmethyl)thiourea
CID 116508876
3-(1-adamantyl)-1-methyl-1-(pyridin-2-ylmethyl)thiourea
CID 13414451
3-(4-iodophenyl)-1-methyl-1-(pyridin-2-ylmethyl)urea
CID 47393550
1-phenyl-3-(pyridin-2-ylmethyl)thiourea
CID 737300
3-(3-acetylphenyl)-1-methyl-1-(pyridin-2-ylmethyl)urea
CID 61346260
2-methyl-3-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]propanoic acid
CID 55105026
3-(4-methylphenyl)-1-(pyridin-2-ylmethyl)-1-(pyridin-3-ylmethyl)thiourea
CID 17370577
4-methyl-5-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]pentanoic acid
CID 82688959
N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 174963433
ethane;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 145471467
3-methyl-2-[[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]methyl]butanoic acid
CID 65223176

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-phenyl-1-(pyridin-2-ylmethyl)thiourea?
The IUPAC name of 1-methyl-3-phenyl-1-(pyridin-2-ylmethyl)thiourea (CID 115587724) is 1-methyl-3-phenyl-1-(pyridin-2-ylmethyl)thiourea.
What is the SMILES notation for 1-methyl-3-phenyl-1-(pyridin-2-ylmethyl)thiourea?
The canonical SMILES for 1-methyl-3-phenyl-1-(pyridin-2-ylmethyl)thiourea is CN(Cc1ccccn1)C(=S)Nc1ccccc1.
What is the InChIKey of 1-methyl-3-phenyl-1-(pyridin-2-ylmethyl)thiourea?
The InChIKey is YMWSTWADKVQWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3S/c1-17(11-13-9-5-6-10-15-13)14(18)16-12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,16,18).
What are the key properties of 1-methyl-3-phenyl-1-(pyridin-2-ylmethyl)thiourea?
1-methyl-3-phenyl-1-(pyridin-2-ylmethyl)thiourea has a molecular weight of 257.36 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-phenyl-1-(pyridin-2-ylmethyl)thiourea is sourced from PubChem (CID 115587724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).