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

C9H14N2OS — CID 53016484

IUPAC3-ethyl-1-methyl-1-(thiophen-2-ylmethyl)urea
SMILESCCNC(=O)N(C)Cc1cccs1
InChIInChI=1S/C9H14N2OS/c1-3-10-9(12)11(2)7-8-5-4-6-13-8/h4-6H,3,7H2,1-2H3,(H,10,12)
InChIKeyCKKZYAFYTLDAIL-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.91
Rot. Bonds3

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

3-ethyl-1-methyl-1-(thiophen-2-ylmethyl)urea (PubChem CID 53016484) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 3-ethyl-1-methyl-1-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name3-ethyl-1-methyl-1-(thiophen-2-ylmethyl)urea
PubChem CID53016484
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name3-ethyl-1-methyl-1-(thiophen-2-ylmethyl)urea
SMILESCCNC(=O)N(C)Cc1cccs1
InChIInChI=1S/C9H14N2OS/c1-3-10-9(12)11(2)7-8-5-4-6-13-8/h4-6H,3,7H2,1-2H3,(H,10,12)
InChIKeyCKKZYAFYTLDAIL-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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Related Compounds

4-[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]butanoic acid
CID 61197339
3-[[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]methyl]pentanoic acid
CID 81069024
1-methyl-3-phenyl-1-(thiophen-2-ylmethyl)urea
CID 27868226
(2R)-2-[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]pentanoic acid
CID 107566203
(2S)-2-[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]pentanoic acid
CID 107566202
3-(4-fluorophenyl)-1-methyl-1-(thiophen-2-ylmethyl)urea
CID 27868223
4-[[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]methyl]oxane-4-carboxylic acid
CID 115440346
3-methyl-3-[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]butanoic acid
CID 64699675
N-methyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 110733634
5-[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid
CID 43527721
3-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)propanamide
CID 115139118
2-(ethylamino)-N-methyl-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 55047494

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-1-(thiophen-2-ylmethyl)urea?
The IUPAC name of 3-ethyl-1-methyl-1-(thiophen-2-ylmethyl)urea (CID 53016484) is 3-ethyl-1-methyl-1-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 3-ethyl-1-methyl-1-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 3-ethyl-1-methyl-1-(thiophen-2-ylmethyl)urea is CCNC(=O)N(C)Cc1cccs1.
What is the InChIKey of 3-ethyl-1-methyl-1-(thiophen-2-ylmethyl)urea?
The InChIKey is CKKZYAFYTLDAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-3-10-9(12)11(2)7-8-5-4-6-13-8/h4-6H,3,7H2,1-2H3,(H,10,12).
What are the key properties of 3-ethyl-1-methyl-1-(thiophen-2-ylmethyl)urea?
3-ethyl-1-methyl-1-(thiophen-2-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-2-ylmethyl)urea is sourced from PubChem (CID 53016484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).