1-amino-1-(2,5-dimethylphenyl)thiourea

C9H13N3S — CID 20847893

IUPAC1-amino-1-(2,5-dimethylphenyl)thiourea
SMILESCc1ccc(C)c(N(N)C(N)=S)c1
InChIInChI=1S/C9H13N3S/c1-6-3-4-7(2)8(5-6)12(11)9(10)13/h3-5H,11H2,1-2H3,(H2,10,13)
InChIKeyBRMHFSMSSRDZFW-UHFFFAOYSA-N
MW195.29 g/mol
LogP1.23
Rot. Bonds1

About 1-amino-1-(2,5-dimethylphenyl)thiourea

1-amino-1-(2,5-dimethylphenyl)thiourea (PubChem CID 20847893) has the molecular formula C9H13N3S and a molecular weight of 195.29 g/mol. Its IUPAC name is 1-amino-1-(2,5-dimethylphenyl)thiourea.

Molecular Properties

Compound Name1-amino-1-(2,5-dimethylphenyl)thiourea
PubChem CID20847893
Molecular FormulaC9H13N3S
Molecular Weight195.29 g/mol
Exact Mass195.08
IUPAC Name1-amino-1-(2,5-dimethylphenyl)thiourea
SMILESCc1ccc(C)c(N(N)C(N)=S)c1
InChIInChI=1S/C9H13N3S/c1-6-3-4-7(2)8(5-6)12(11)9(10)13/h3-5H,11H2,1-2H3,(H2,10,13)
InChIKeyBRMHFSMSSRDZFW-UHFFFAOYSA-N
XLogP1.23
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-amino-1-(2,5-dimethylphenyl)thiourea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-(2,5-dimethylphenyl)thiourea?
The IUPAC name of 1-amino-1-(2,5-dimethylphenyl)thiourea (CID 20847893) is 1-amino-1-(2,5-dimethylphenyl)thiourea.
What is the SMILES notation for 1-amino-1-(2,5-dimethylphenyl)thiourea?
The canonical SMILES for 1-amino-1-(2,5-dimethylphenyl)thiourea is Cc1ccc(C)c(N(N)C(N)=S)c1.
What is the InChIKey of 1-amino-1-(2,5-dimethylphenyl)thiourea?
The InChIKey is BRMHFSMSSRDZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3S/c1-6-3-4-7(2)8(5-6)12(11)9(10)13/h3-5H,11H2,1-2H3,(H2,10,13).
What are the key properties of 1-amino-1-(2,5-dimethylphenyl)thiourea?
1-amino-1-(2,5-dimethylphenyl)thiourea has a molecular weight of 195.29 g/mol, XLogP of 1.23, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-(2,5-dimethylphenyl)thiourea is sourced from PubChem (CID 20847893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).