1-(2-chlorothiophen-3-yl)-3-methoxyurea

C6H7ClN2O2S — CID 130928006

IUPAC1-(2-chlorothiophen-3-yl)-3-methoxyurea
SMILESCONC(=O)Nc1ccsc1Cl
InChIInChI=1S/C6H7ClN2O2S/c1-11-9-6(10)8-4-2-3-12-5(4)7/h2-3H,1H3,(H2,8,9,10)
InChIKeyBORDMAGRKBSODU-UHFFFAOYSA-N
MW206.65 g/mol
LogP2.08
Rot. Bonds2

About 1-(2-chlorothiophen-3-yl)-3-methoxyurea

1-(2-chlorothiophen-3-yl)-3-methoxyurea (PubChem CID 130928006) has the molecular formula C6H7ClN2O2S and a molecular weight of 206.65 g/mol. Its IUPAC name is 1-(2-chlorothiophen-3-yl)-3-methoxyurea.

Molecular Properties

Compound Name1-(2-chlorothiophen-3-yl)-3-methoxyurea
PubChem CID130928006
Molecular FormulaC6H7ClN2O2S
Molecular Weight206.65 g/mol
Exact Mass205.99
IUPAC Name1-(2-chlorothiophen-3-yl)-3-methoxyurea
SMILESCONC(=O)Nc1ccsc1Cl
InChIInChI=1S/C6H7ClN2O2S/c1-11-9-6(10)8-4-2-3-12-5(4)7/h2-3H,1H3,(H2,8,9,10)
InChIKeyBORDMAGRKBSODU-UHFFFAOYSA-N
XLogP2.08
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.65
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-(2-chlorothiophen-3-yl)-2-hydroxypropanamide
CID 131154583
3-amino-N-(2-chlorothiophen-3-yl)-2-methylpropanamide
CID 130948894
(2-chlorothiophen-3-yl)hydrazine
CID 131113782
1-(2-chlorothiophen-3-yl)-3-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]urea
CID 129475840
1-methoxy-3-(4-propan-2-ylphenyl)urea
CID 134178123
1-methoxy-3-(2-nitrophenyl)urea
CID 5118632
2-chloro-N-(methylsulfamoyl)thiophen-3-amine
CID 71126557
N-(2-chlorothiophen-3-yl)-3-(3-methyloxetan-3-yl)-1,2-oxazole-4-carboxamide
CID 167786001
1-(2-chlorothiophen-3-yl)-3-[3-(diethylsulfamoyl)-2-methyl-4-oxo-3H-pyrazol-5-yl]urea
CID 11553263
1-(4-fluoro-2-propan-2-ylphenyl)-3-methoxyurea
CID 134177615
methyl 3-(2-methylpropanoylamino)thiophene-2-carboxylate
CID 4108556
tert-butyl 2-[(2-chlorothiophen-3-yl)amino]pyridine-4-carboxylate
CID 141274158

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorothiophen-3-yl)-3-methoxyurea?
The IUPAC name of 1-(2-chlorothiophen-3-yl)-3-methoxyurea (CID 130928006) is 1-(2-chlorothiophen-3-yl)-3-methoxyurea.
What is the SMILES notation for 1-(2-chlorothiophen-3-yl)-3-methoxyurea?
The canonical SMILES for 1-(2-chlorothiophen-3-yl)-3-methoxyurea is CONC(=O)Nc1ccsc1Cl.
What is the InChIKey of 1-(2-chlorothiophen-3-yl)-3-methoxyurea?
The InChIKey is BORDMAGRKBSODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2O2S/c1-11-9-6(10)8-4-2-3-12-5(4)7/h2-3H,1H3,(H2,8,9,10).
What are the key properties of 1-(2-chlorothiophen-3-yl)-3-methoxyurea?
1-(2-chlorothiophen-3-yl)-3-methoxyurea has a molecular weight of 206.65 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorothiophen-3-yl)-3-methoxyurea is sourced from PubChem (CID 130928006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).