1-methyl-3-[(2-methylbenzoyl)amino]thiourea

C10H13N3OS — CID 2731335

IUPAC1-methyl-3-[(2-methylbenzoyl)amino]thiourea
SMILESCNC(=S)NNC(=O)c1ccccc1C
InChIInChI=1S/C10H13N3OS/c1-7-5-3-4-6-8(7)9(14)12-13-10(15)11-2/h3-6H,1-2H3,(H,12,14)(H2,11,13,15)
InChIKeyIQXUJDBOUNXIDW-UHFFFAOYSA-N
MW223.30 g/mol
LogP0.73
Rot. Bonds1

About 1-methyl-3-[(2-methylbenzoyl)amino]thiourea

1-methyl-3-[(2-methylbenzoyl)amino]thiourea (PubChem CID 2731335) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol. Its IUPAC name is 1-methyl-3-[(2-methylbenzoyl)amino]thiourea.

Molecular Properties

Compound Name1-methyl-3-[(2-methylbenzoyl)amino]thiourea
PubChem CID2731335
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC Name1-methyl-3-[(2-methylbenzoyl)amino]thiourea
SMILESCNC(=S)NNC(=O)c1ccccc1C
InChIInChI=1S/C10H13N3OS/c1-7-5-3-4-6-8(7)9(14)12-13-10(15)11-2/h3-6H,1-2H3,(H,12,14)(H2,11,13,15)
InChIKeyIQXUJDBOUNXIDW-UHFFFAOYSA-N
XLogP0.73
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-methyl-3-[(2-methylbenzoyl)amino]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-ethyl-3-[(2-methylbenzoyl)amino]thiourea
CID 4299886
1-N',4-N'-bis(2-methylbenzoyl)butanedihydrazide
CID 4630875
N-[[(2-methylbenzoyl)amino]carbamothioyl]-4-phenylbenzamide
CID 4659412
N-[(butanoylamino)carbamothioyl]-2-methylbenzamide
CID 17340131
N,2-dimethylbenzamide;trifluoroborane
CID 174957672
N'-(4-chlorobenzoyl)-2-methylbenzohydrazide
CID 795258
1-[(2,4-dimethylbenzoyl)amino]-3-(2-methylphenyl)thiourea
CID 8616409
N-[4-(acetylcarbamothioylamino)phenyl]-2-methylbenzamide
CID 961064
2,5-dimethyl-N'-(2-methylbenzoyl)furan-3-carbohydrazide
CID 7808967
tert-butyl N-[(2-methylbenzoyl)amino]carbamate
CID 2218283
N-tert-butyl-2-[2-(2-methylbenzoyl)hydrazinyl]-2-oxoacetamide
CID 17386895
3,5-dichloro-N'-(2-methylbenzoyl)benzohydrazide
CID 17133584

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(2-methylbenzoyl)amino]thiourea?
The IUPAC name of 1-methyl-3-[(2-methylbenzoyl)amino]thiourea (CID 2731335) is 1-methyl-3-[(2-methylbenzoyl)amino]thiourea.
What is the SMILES notation for 1-methyl-3-[(2-methylbenzoyl)amino]thiourea?
The canonical SMILES for 1-methyl-3-[(2-methylbenzoyl)amino]thiourea is CNC(=S)NNC(=O)c1ccccc1C.
What is the InChIKey of 1-methyl-3-[(2-methylbenzoyl)amino]thiourea?
The InChIKey is IQXUJDBOUNXIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS/c1-7-5-3-4-6-8(7)9(14)12-13-10(15)11-2/h3-6H,1-2H3,(H,12,14)(H2,11,13,15).
What are the key properties of 1-methyl-3-[(2-methylbenzoyl)amino]thiourea?
1-methyl-3-[(2-methylbenzoyl)amino]thiourea has a molecular weight of 223.30 g/mol, XLogP of 0.73, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(2-methylbenzoyl)amino]thiourea is sourced from PubChem (CID 2731335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).