1-methyl-3-(4-methylthiophen-3-yl)urea

C7H10N2OS — CID 131044055

IUPAC1-methyl-3-(4-methylthiophen-3-yl)urea
SMILESCNC(=O)Nc1cscc1C
InChIInChI=1S/C7H10N2OS/c1-5-3-11-4-6(5)9-7(10)8-2/h3-4H,1-2H3,(H2,8,9,10)
InChIKeyWOJLWFUJZJRQLY-UHFFFAOYSA-N
MW170.24 g/mol
LogP1.81
Rot. Bonds1

About 1-methyl-3-(4-methylthiophen-3-yl)urea

1-methyl-3-(4-methylthiophen-3-yl)urea (PubChem CID 131044055) has the molecular formula C7H10N2OS and a molecular weight of 170.24 g/mol. Its IUPAC name is 1-methyl-3-(4-methylthiophen-3-yl)urea.

Molecular Properties

Compound Name1-methyl-3-(4-methylthiophen-3-yl)urea
PubChem CID131044055
Molecular FormulaC7H10N2OS
Molecular Weight170.24 g/mol
Exact Mass170.05
IUPAC Name1-methyl-3-(4-methylthiophen-3-yl)urea
SMILESCNC(=O)Nc1cscc1C
InChIInChI=1S/C7H10N2OS/c1-5-3-11-4-6(5)9-7(10)8-2/h3-4H,1-2H3,(H2,8,9,10)
InChIKeyWOJLWFUJZJRQLY-UHFFFAOYSA-N
XLogP1.81
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(4-methylthiophen-3-yl)urea?
The IUPAC name of 1-methyl-3-(4-methylthiophen-3-yl)urea (CID 131044055) is 1-methyl-3-(4-methylthiophen-3-yl)urea.
What is the SMILES notation for 1-methyl-3-(4-methylthiophen-3-yl)urea?
The canonical SMILES for 1-methyl-3-(4-methylthiophen-3-yl)urea is CNC(=O)Nc1cscc1C.
What is the InChIKey of 1-methyl-3-(4-methylthiophen-3-yl)urea?
The InChIKey is WOJLWFUJZJRQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2OS/c1-5-3-11-4-6(5)9-7(10)8-2/h3-4H,1-2H3,(H2,8,9,10).
What are the key properties of 1-methyl-3-(4-methylthiophen-3-yl)urea?
1-methyl-3-(4-methylthiophen-3-yl)urea has a molecular weight of 170.24 g/mol, XLogP of 1.81, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(4-methylthiophen-3-yl)urea is sourced from PubChem (CID 131044055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).