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

C7H10N2OS — CID 43397212

IUPAC1-methyl-1-(thiophen-2-ylmethyl)urea
SMILESCN(Cc1cccs1)C(N)=O
InChIInChI=1S/C7H10N2OS/c1-9(7(8)10)5-6-3-2-4-11-6/h2-4H,5H2,1H3,(H2,8,10)
InChIKeyIHOCMTURXKLWLW-UHFFFAOYSA-N
MW170.24 g/mol
LogP1.26
Rot. Bonds2

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

1-methyl-1-(thiophen-2-ylmethyl)urea (PubChem CID 43397212) has the molecular formula C7H10N2OS and a molecular weight of 170.24 g/mol. Its IUPAC name is 1-methyl-1-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-methyl-1-(thiophen-2-ylmethyl)urea
PubChem CID43397212
Molecular FormulaC7H10N2OS
Molecular Weight170.24 g/mol
Exact Mass170.05
IUPAC Name1-methyl-1-(thiophen-2-ylmethyl)urea
SMILESCN(Cc1cccs1)C(N)=O
InChIInChI=1S/C7H10N2OS/c1-9(7(8)10)5-6-3-2-4-11-6/h2-4H,5H2,1H3,(H2,8,10)
InChIKeyIHOCMTURXKLWLW-UHFFFAOYSA-N
XLogP1.26
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-methyl-1-(thiophen-2-ylmethyl)urea (CID 43397212) is 1-methyl-1-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-methyl-1-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-methyl-1-(thiophen-2-ylmethyl)urea is CN(Cc1cccs1)C(N)=O.
What is the InChIKey of 1-methyl-1-(thiophen-2-ylmethyl)urea?
The InChIKey is IHOCMTURXKLWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2OS/c1-9(7(8)10)5-6-3-2-4-11-6/h2-4H,5H2,1H3,(H2,8,10).
What are the key properties of 1-methyl-1-(thiophen-2-ylmethyl)urea?
1-methyl-1-(thiophen-2-ylmethyl)urea has a molecular weight of 170.24 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 43397212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).