3-ethyl-1-methyl-1-(thiophen-3-ylmethyl)urea

C9H14N2OS — CID 53016487

IUPAC3-ethyl-1-methyl-1-(thiophen-3-ylmethyl)urea
SMILESCCNC(=O)N(C)Cc1ccsc1
InChIInChI=1S/C9H14N2OS/c1-3-10-9(12)11(2)6-8-4-5-13-7-8/h4-5,7H,3,6H2,1-2H3,(H,10,12)
InChIKeySSYGVUGOQYHXQF-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.91
Rot. Bonds3

About 3-ethyl-1-methyl-1-(thiophen-3-ylmethyl)urea

3-ethyl-1-methyl-1-(thiophen-3-ylmethyl)urea (PubChem CID 53016487) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 3-ethyl-1-methyl-1-(thiophen-3-ylmethyl)urea.

Molecular Properties

Compound Name3-ethyl-1-methyl-1-(thiophen-3-ylmethyl)urea
PubChem CID53016487
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name3-ethyl-1-methyl-1-(thiophen-3-ylmethyl)urea
SMILESCCNC(=O)N(C)Cc1ccsc1
InChIInChI=1S/C9H14N2OS/c1-3-10-9(12)11(2)6-8-4-5-13-7-8/h4-5,7H,3,6H2,1-2H3,(H,10,12)
InChIKeySSYGVUGOQYHXQF-UHFFFAOYSA-N
XLogP1.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-1-(thiophen-3-ylmethyl)urea?
The IUPAC name of 3-ethyl-1-methyl-1-(thiophen-3-ylmethyl)urea (CID 53016487) is 3-ethyl-1-methyl-1-(thiophen-3-ylmethyl)urea.
What is the SMILES notation for 3-ethyl-1-methyl-1-(thiophen-3-ylmethyl)urea?
The canonical SMILES for 3-ethyl-1-methyl-1-(thiophen-3-ylmethyl)urea is CCNC(=O)N(C)Cc1ccsc1.
What is the InChIKey of 3-ethyl-1-methyl-1-(thiophen-3-ylmethyl)urea?
The InChIKey is SSYGVUGOQYHXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-3-10-9(12)11(2)6-8-4-5-13-7-8/h4-5,7H,3,6H2,1-2H3,(H,10,12).
What are the key properties of 3-ethyl-1-methyl-1-(thiophen-3-ylmethyl)urea?
3-ethyl-1-methyl-1-(thiophen-3-ylmethyl)urea has a molecular weight of 198.29 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-1-(thiophen-3-ylmethyl)urea is sourced from PubChem (CID 53016487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).