1-[(5-chlorothiophen-2-yl)methyl]-3-methoxyurea

C7H9ClN2O2S — CID 47229061

IUPAC1-[(5-chlorothiophen-2-yl)methyl]-3-methoxyurea
SMILESCONC(=O)NCc1ccc(Cl)s1
InChIInChI=1S/C7H9ClN2O2S/c1-12-10-7(11)9-4-5-2-3-6(8)13-5/h2-3H,4H2,1H3,(H2,9,10,11)
InChIKeyDQAQREYUVGGHJS-UHFFFAOYSA-N
MW220.68 g/mol
LogP1.76
Rot. Bonds3

About 1-[(5-chlorothiophen-2-yl)methyl]-3-methoxyurea

1-[(5-chlorothiophen-2-yl)methyl]-3-methoxyurea (PubChem CID 47229061) has the molecular formula C7H9ClN2O2S and a molecular weight of 220.68 g/mol. Its IUPAC name is 1-[(5-chlorothiophen-2-yl)methyl]-3-methoxyurea.

Molecular Properties

Compound Name1-[(5-chlorothiophen-2-yl)methyl]-3-methoxyurea
PubChem CID47229061
Molecular FormulaC7H9ClN2O2S
Molecular Weight220.68 g/mol
Exact Mass220.01
IUPAC Name1-[(5-chlorothiophen-2-yl)methyl]-3-methoxyurea
SMILESCONC(=O)NCc1ccc(Cl)s1
InChIInChI=1S/C7H9ClN2O2S/c1-12-10-7(11)9-4-5-2-3-6(8)13-5/h2-3H,4H2,1H3,(H2,9,10,11)
InChIKeyDQAQREYUVGGHJS-UHFFFAOYSA-N
XLogP1.76
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.68
LogP ≤ 51.76
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

2-hydroxyethyl N-[(5-chlorothiophen-2-yl)methyl]carbamate
CID 79348989
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-3-methoxypropanamide
CID 81089217
3-amino-N-[(5-chlorothiophen-2-yl)methyl]-2-methoxypropanamide
CID 106112944
2-[(5-chlorothiophen-2-yl)methylcarbamoylamino]-3-methoxypropanoic acid
CID 81082349
2-chloro-N-[(5-chlorothiophen-2-yl)methyl]acetamide
CID 50988904
N-[(5-chlorothiophen-2-yl)methyl]-2-hydroxypropanamide
CID 115140641
3-[(5-chlorothiophen-2-yl)methyl]-1,1-diethylurea
CID 115584114
2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-methoxyacetamide
CID 60701138
2-[(5-chlorothiophen-2-yl)methylcarbamoylamino]pentanoic acid
CID 18071951
(2S)-2-[(5-chlorothiophen-2-yl)methylcarbamoylamino]-4-methylpentanoic acid
CID 29295898
N-[(5-chlorothiophen-2-yl)methyl]-2-(2-methoxyethylsulfonyl)acetamide
CID 78875952
2-(1-aminocyclopentyl)-N-[(5-chlorothiophen-2-yl)methyl]acetamide
CID 64676702

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chlorothiophen-2-yl)methyl]-3-methoxyurea?
The IUPAC name of 1-[(5-chlorothiophen-2-yl)methyl]-3-methoxyurea (CID 47229061) is 1-[(5-chlorothiophen-2-yl)methyl]-3-methoxyurea.
What is the SMILES notation for 1-[(5-chlorothiophen-2-yl)methyl]-3-methoxyurea?
The canonical SMILES for 1-[(5-chlorothiophen-2-yl)methyl]-3-methoxyurea is CONC(=O)NCc1ccc(Cl)s1.
What is the InChIKey of 1-[(5-chlorothiophen-2-yl)methyl]-3-methoxyurea?
The InChIKey is DQAQREYUVGGHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O2S/c1-12-10-7(11)9-4-5-2-3-6(8)13-5/h2-3H,4H2,1H3,(H2,9,10,11).
What are the key properties of 1-[(5-chlorothiophen-2-yl)methyl]-3-methoxyurea?
1-[(5-chlorothiophen-2-yl)methyl]-3-methoxyurea has a molecular weight of 220.68 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chlorothiophen-2-yl)methyl]-3-methoxyurea is sourced from PubChem (CID 47229061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).