3-amino-1-(5-chlorothiophen-2-yl)-1-methylurea

C6H8ClN3OS — CID 115192475

IUPAC3-amino-1-(5-chlorothiophen-2-yl)-1-methylurea
SMILESCN(C(=O)NN)c1ccc(Cl)s1
InChIInChI=1S/C6H8ClN3OS/c1-10(6(11)9-8)5-3-2-4(7)12-5/h2-3H,8H2,1H3,(H,9,11)
InChIKeyIHPXTJNZWYSQEH-UHFFFAOYSA-N
MW205.67 g/mol
LogP1.42
Rot. Bonds1

About 3-amino-1-(5-chlorothiophen-2-yl)-1-methylurea

3-amino-1-(5-chlorothiophen-2-yl)-1-methylurea (PubChem CID 115192475) has the molecular formula C6H8ClN3OS and a molecular weight of 205.67 g/mol. Its IUPAC name is 3-amino-1-(5-chlorothiophen-2-yl)-1-methylurea.

Molecular Properties

Compound Name3-amino-1-(5-chlorothiophen-2-yl)-1-methylurea
PubChem CID115192475
Molecular FormulaC6H8ClN3OS
Molecular Weight205.67 g/mol
Exact Mass205.01
IUPAC Name3-amino-1-(5-chlorothiophen-2-yl)-1-methylurea
SMILESCN(C(=O)NN)c1ccc(Cl)s1
InChIInChI=1S/C6H8ClN3OS/c1-10(6(11)9-8)5-3-2-4(7)12-5/h2-3H,8H2,1H3,(H,9,11)
InChIKeyIHPXTJNZWYSQEH-UHFFFAOYSA-N
XLogP1.42
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.67
LogP ≤ 51.42
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

2-amino-N-(5-chlorothiophen-2-yl)-3-hydroxy-N-methylpropanamide
CID 115179707
N-(5-chlorothiophen-2-yl)-N-methylhydroxylamine
CID 91603998
N-(5-chlorothiophen-2-yl)-N-methyl-1-(methylaminomethyl)cyclopropane-1-carboxamide
CID 115182952
3-amino-1-(5-chloro-2-fluorophenyl)-1-methylurea
CID 115192535
methyl 2-[(5-chlorothiophen-2-yl)-methylamino]-2-methylpropanoate
CID 115128347
methyl (2S)-2-amino-2-(5-chlorothiophen-2-yl)acetate
CID 12968026
3-amino-1-methyl-1-(3-methylthiophen-2-yl)urea
CID 115192593
1-[(5-chlorothiophen-2-yl)methyl]-3-ethyl-1-methylurea
CID 47107929
N-(5-chlorothiophen-2-yl)-N-methylpiperidine-2-carboxamide
CID 115159724
3-amino-4-[(5-chlorothiophen-2-yl)-methylamino]butanoic acid
CID 115241562
3-amino-1-(4-ethylphenyl)-1-methylurea
CID 62003089
N'-(5-chlorothiophen-2-yl)-N,N'-dimethylmethanediamine
CID 115226650

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(5-chlorothiophen-2-yl)-1-methylurea?
The IUPAC name of 3-amino-1-(5-chlorothiophen-2-yl)-1-methylurea (CID 115192475) is 3-amino-1-(5-chlorothiophen-2-yl)-1-methylurea.
What is the SMILES notation for 3-amino-1-(5-chlorothiophen-2-yl)-1-methylurea?
The canonical SMILES for 3-amino-1-(5-chlorothiophen-2-yl)-1-methylurea is CN(C(=O)NN)c1ccc(Cl)s1.
What is the InChIKey of 3-amino-1-(5-chlorothiophen-2-yl)-1-methylurea?
The InChIKey is IHPXTJNZWYSQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClN3OS/c1-10(6(11)9-8)5-3-2-4(7)12-5/h2-3H,8H2,1H3,(H,9,11).
What are the key properties of 3-amino-1-(5-chlorothiophen-2-yl)-1-methylurea?
3-amino-1-(5-chlorothiophen-2-yl)-1-methylurea has a molecular weight of 205.67 g/mol, XLogP of 1.42, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(5-chlorothiophen-2-yl)-1-methylurea is sourced from PubChem (CID 115192475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).