3-amino-1-methyl-1-(3-methylthiophen-2-yl)urea

C7H11N3OS — CID 115192593

IUPAC3-amino-1-methyl-1-(3-methylthiophen-2-yl)urea
SMILESCc1ccsc1N(C)C(=O)NN
InChIInChI=1S/C7H11N3OS/c1-5-3-4-12-6(5)10(2)7(11)9-8/h3-4H,8H2,1-2H3,(H,9,11)
InChIKeyMATFMUCBJXERMH-UHFFFAOYSA-N
MW185.25 g/mol
LogP1.08
Rot. Bonds1

About 3-amino-1-methyl-1-(3-methylthiophen-2-yl)urea

3-amino-1-methyl-1-(3-methylthiophen-2-yl)urea (PubChem CID 115192593) has the molecular formula C7H11N3OS and a molecular weight of 185.25 g/mol. Its IUPAC name is 3-amino-1-methyl-1-(3-methylthiophen-2-yl)urea.

Molecular Properties

Compound Name3-amino-1-methyl-1-(3-methylthiophen-2-yl)urea
PubChem CID115192593
Molecular FormulaC7H11N3OS
Molecular Weight185.25 g/mol
Exact Mass185.06
IUPAC Name3-amino-1-methyl-1-(3-methylthiophen-2-yl)urea
SMILESCc1ccsc1N(C)C(=O)NN
InChIInChI=1S/C7H11N3OS/c1-5-3-4-12-6(5)10(2)7(11)9-8/h3-4H,8H2,1-2H3,(H,9,11)
InChIKeyMATFMUCBJXERMH-UHFFFAOYSA-N
XLogP1.08
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-methyl-N-(3-methylthiophen-2-yl)butanamide
CID 115154152
N-methyl-4-(methylamino)-N-(3-methylthiophen-2-yl)butanamide
CID 115155685
ethyl 2-[methyl-(3-methylthiophen-2-yl)amino]acetate
CID 115257352
1-(hydroxymethyl)-N-methyl-N-(3-methylthiophen-2-yl)cyclopropane-1-carboxamide
CID 115182201
N-methyl-1-(methylaminomethyl)-N-(3-methylthiophen-2-yl)cyclobutane-1-carboxamide
CID 115183696
3-amino-1-(2,5-dimethylphenyl)-1-methylurea
CID 115192449
1,1-dimethyl-3-[(3-methylthiophen-2-yl)methyl]urea
CID 115579180
N-methyl-N-(3-methylthiophen-2-yl)pyrrolidine-2-carboxamide
CID 115159253
N-methyl-N-(3-methylthiophen-2-yl)-2-piperazin-1-ylacetamide
CID 115171691
1,3-dimethyl-1-[(3-methylthiophen-2-yl)methyl]urea
CID 115169307
3-amino-1-(4-ethylphenyl)-1-methylurea
CID 62003089
N-(aminomethyl)-3-methylthiophene-2-carboxamide
CID 169257485

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-methyl-1-(3-methylthiophen-2-yl)urea?
The IUPAC name of 3-amino-1-methyl-1-(3-methylthiophen-2-yl)urea (CID 115192593) is 3-amino-1-methyl-1-(3-methylthiophen-2-yl)urea.
What is the SMILES notation for 3-amino-1-methyl-1-(3-methylthiophen-2-yl)urea?
The canonical SMILES for 3-amino-1-methyl-1-(3-methylthiophen-2-yl)urea is Cc1ccsc1N(C)C(=O)NN.
What is the InChIKey of 3-amino-1-methyl-1-(3-methylthiophen-2-yl)urea?
The InChIKey is MATFMUCBJXERMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3OS/c1-5-3-4-12-6(5)10(2)7(11)9-8/h3-4H,8H2,1-2H3,(H,9,11).
What are the key properties of 3-amino-1-methyl-1-(3-methylthiophen-2-yl)urea?
3-amino-1-methyl-1-(3-methylthiophen-2-yl)urea has a molecular weight of 185.25 g/mol, XLogP of 1.08, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-methyl-1-(3-methylthiophen-2-yl)urea is sourced from PubChem (CID 115192593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).