1,3-dimethyl-1-(thiophen-3-ylmethyl)urea

C8H12N2OS — CID 53016466

IUPAC1,3-dimethyl-1-(thiophen-3-ylmethyl)urea
SMILESCNC(=O)N(C)Cc1ccsc1
InChIInChI=1S/C8H12N2OS/c1-9-8(11)10(2)5-7-3-4-12-6-7/h3-4,6H,5H2,1-2H3,(H,9,11)
InChIKeyQCWIVOUAUOAKIH-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.52
Rot. Bonds2

About 1,3-dimethyl-1-(thiophen-3-ylmethyl)urea

1,3-dimethyl-1-(thiophen-3-ylmethyl)urea (PubChem CID 53016466) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is 1,3-dimethyl-1-(thiophen-3-ylmethyl)urea.

Molecular Properties

Compound Name1,3-dimethyl-1-(thiophen-3-ylmethyl)urea
PubChem CID53016466
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name1,3-dimethyl-1-(thiophen-3-ylmethyl)urea
SMILESCNC(=O)N(C)Cc1ccsc1
InChIInChI=1S/C8H12N2OS/c1-9-8(11)10(2)5-7-3-4-12-6-7/h3-4,6H,5H2,1-2H3,(H,9,11)
InChIKeyQCWIVOUAUOAKIH-UHFFFAOYSA-N
XLogP1.52
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-1-(thiophen-3-ylmethyl)urea?
The IUPAC name of 1,3-dimethyl-1-(thiophen-3-ylmethyl)urea (CID 53016466) is 1,3-dimethyl-1-(thiophen-3-ylmethyl)urea.
What is the SMILES notation for 1,3-dimethyl-1-(thiophen-3-ylmethyl)urea?
The canonical SMILES for 1,3-dimethyl-1-(thiophen-3-ylmethyl)urea is CNC(=O)N(C)Cc1ccsc1.
What is the InChIKey of 1,3-dimethyl-1-(thiophen-3-ylmethyl)urea?
The InChIKey is QCWIVOUAUOAKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-9-8(11)10(2)5-7-3-4-12-6-7/h3-4,6H,5H2,1-2H3,(H,9,11).
What are the key properties of 1,3-dimethyl-1-(thiophen-3-ylmethyl)urea?
1,3-dimethyl-1-(thiophen-3-ylmethyl)urea has a molecular weight of 184.26 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-1-(thiophen-3-ylmethyl)urea is sourced from PubChem (CID 53016466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).