1-[(4-methylthiophen-3-yl)methyl]-3-propylurea

C10H16N2OS — CID 116656800

IUPAC1-[(4-methylthiophen-3-yl)methyl]-3-propylurea
SMILESCCCNC(=O)NCc1cscc1C
InChIInChI=1S/C10H16N2OS/c1-3-4-11-10(13)12-5-9-7-14-6-8(9)2/h6-7H,3-5H2,1-2H3,(H2,11,12,13)
InChIKeyMTIASJPSZJHVGK-UHFFFAOYSA-N
MW212.32 g/mol
LogP2.27
Rot. Bonds4

About 1-[(4-methylthiophen-3-yl)methyl]-3-propylurea

1-[(4-methylthiophen-3-yl)methyl]-3-propylurea (PubChem CID 116656800) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 1-[(4-methylthiophen-3-yl)methyl]-3-propylurea.

Molecular Properties

Compound Name1-[(4-methylthiophen-3-yl)methyl]-3-propylurea
PubChem CID116656800
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name1-[(4-methylthiophen-3-yl)methyl]-3-propylurea
SMILESCCCNC(=O)NCc1cscc1C
InChIInChI=1S/C10H16N2OS/c1-3-4-11-10(13)12-5-9-7-14-6-8(9)2/h6-7H,3-5H2,1-2H3,(H2,11,12,13)
InChIKeyMTIASJPSZJHVGK-UHFFFAOYSA-N
XLogP2.27
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylthiophen-3-yl)methyl]-3-propylurea?
The IUPAC name of 1-[(4-methylthiophen-3-yl)methyl]-3-propylurea (CID 116656800) is 1-[(4-methylthiophen-3-yl)methyl]-3-propylurea.
What is the SMILES notation for 1-[(4-methylthiophen-3-yl)methyl]-3-propylurea?
The canonical SMILES for 1-[(4-methylthiophen-3-yl)methyl]-3-propylurea is CCCNC(=O)NCc1cscc1C.
What is the InChIKey of 1-[(4-methylthiophen-3-yl)methyl]-3-propylurea?
The InChIKey is MTIASJPSZJHVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-3-4-11-10(13)12-5-9-7-14-6-8(9)2/h6-7H,3-5H2,1-2H3,(H2,11,12,13).
What are the key properties of 1-[(4-methylthiophen-3-yl)methyl]-3-propylurea?
1-[(4-methylthiophen-3-yl)methyl]-3-propylurea has a molecular weight of 212.32 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylthiophen-3-yl)methyl]-3-propylurea is sourced from PubChem (CID 116656800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).