1-hydroxy-3-methyl-1-(thiophen-2-ylmethyl)urea

C7H10N2O2S — CID 19780504

IUPAC1-hydroxy-3-methyl-1-(thiophen-2-ylmethyl)urea
SMILESCNC(=O)N(O)Cc1cccs1
InChIInChI=1S/C7H10N2O2S/c1-8-7(10)9(11)5-6-3-2-4-12-6/h2-4,11H,5H2,1H3,(H,8,10)
InChIKeyMGHHUCBHOVZNAW-UHFFFAOYSA-N
MW186.24 g/mol
LogP1.28
Rot. Bonds2

About 1-hydroxy-3-methyl-1-(thiophen-2-ylmethyl)urea

1-hydroxy-3-methyl-1-(thiophen-2-ylmethyl)urea (PubChem CID 19780504) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is 1-hydroxy-3-methyl-1-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-hydroxy-3-methyl-1-(thiophen-2-ylmethyl)urea
PubChem CID19780504
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Name1-hydroxy-3-methyl-1-(thiophen-2-ylmethyl)urea
SMILESCNC(=O)N(O)Cc1cccs1
InChIInChI=1S/C7H10N2O2S/c1-8-7(10)9(11)5-6-3-2-4-12-6/h2-4,11H,5H2,1H3,(H,8,10)
InChIKeyMGHHUCBHOVZNAW-UHFFFAOYSA-N
XLogP1.28
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3-methyl-1-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-hydroxy-3-methyl-1-(thiophen-2-ylmethyl)urea (CID 19780504) is 1-hydroxy-3-methyl-1-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-hydroxy-3-methyl-1-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-hydroxy-3-methyl-1-(thiophen-2-ylmethyl)urea is CNC(=O)N(O)Cc1cccs1.
What is the InChIKey of 1-hydroxy-3-methyl-1-(thiophen-2-ylmethyl)urea?
The InChIKey is MGHHUCBHOVZNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c1-8-7(10)9(11)5-6-3-2-4-12-6/h2-4,11H,5H2,1H3,(H,8,10).
What are the key properties of 1-hydroxy-3-methyl-1-(thiophen-2-ylmethyl)urea?
1-hydroxy-3-methyl-1-(thiophen-2-ylmethyl)urea has a molecular weight of 186.24 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-methyl-1-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 19780504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).