3-ethyl-1-methyl-1-[(5-methylthiophen-2-yl)methyl]urea

C10H16N2OS — CID 53016485

IUPAC3-ethyl-1-methyl-1-[(5-methylthiophen-2-yl)methyl]urea
SMILESCCNC(=O)N(C)Cc1ccc(C)s1
InChIInChI=1S/C10H16N2OS/c1-4-11-10(13)12(3)7-9-6-5-8(2)14-9/h5-6H,4,7H2,1-3H3,(H,11,13)
InChIKeyCJXILNKWBBHKBV-UHFFFAOYSA-N
MW212.32 g/mol
LogP2.22
Rot. Bonds3

About 3-ethyl-1-methyl-1-[(5-methylthiophen-2-yl)methyl]urea

3-ethyl-1-methyl-1-[(5-methylthiophen-2-yl)methyl]urea (PubChem CID 53016485) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 3-ethyl-1-methyl-1-[(5-methylthiophen-2-yl)methyl]urea.

Molecular Properties

Compound Name3-ethyl-1-methyl-1-[(5-methylthiophen-2-yl)methyl]urea
PubChem CID53016485
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name3-ethyl-1-methyl-1-[(5-methylthiophen-2-yl)methyl]urea
SMILESCCNC(=O)N(C)Cc1ccc(C)s1
InChIInChI=1S/C10H16N2OS/c1-4-11-10(13)12(3)7-9-6-5-8(2)14-9/h5-6H,4,7H2,1-3H3,(H,11,13)
InChIKeyCJXILNKWBBHKBV-UHFFFAOYSA-N
XLogP2.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 52.22
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-[(5-methylthiophen-2-yl)methyl]urea?
The IUPAC name of 3-ethyl-1-methyl-1-[(5-methylthiophen-2-yl)methyl]urea (CID 53016485) is 3-ethyl-1-methyl-1-[(5-methylthiophen-2-yl)methyl]urea.
What is the SMILES notation for 3-ethyl-1-methyl-1-[(5-methylthiophen-2-yl)methyl]urea?
The canonical SMILES for 3-ethyl-1-methyl-1-[(5-methylthiophen-2-yl)methyl]urea is CCNC(=O)N(C)Cc1ccc(C)s1.
What is the InChIKey of 3-ethyl-1-methyl-1-[(5-methylthiophen-2-yl)methyl]urea?
The InChIKey is CJXILNKWBBHKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-4-11-10(13)12(3)7-9-6-5-8(2)14-9/h5-6H,4,7H2,1-3H3,(H,11,13).
What are the key properties of 3-ethyl-1-methyl-1-[(5-methylthiophen-2-yl)methyl]urea?
3-ethyl-1-methyl-1-[(5-methylthiophen-2-yl)methyl]urea has a molecular weight of 212.32 g/mol, XLogP of 2.22, 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-[(5-methylthiophen-2-yl)methyl]urea is sourced from PubChem (CID 53016485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).