1-propyl-3-(thiophen-3-ylmethyl)urea

C9H14N2OS — CID 110874504

IUPAC1-propyl-3-(thiophen-3-ylmethyl)urea
SMILESCCCNC(=O)NCc1ccsc1
InChIInChI=1S/C9H14N2OS/c1-2-4-10-9(12)11-6-8-3-5-13-7-8/h3,5,7H,2,4,6H2,1H3,(H2,10,11,12)
InChIKeySDECKVYJRFZYAK-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.96
Rot. Bonds4

About 1-propyl-3-(thiophen-3-ylmethyl)urea

1-propyl-3-(thiophen-3-ylmethyl)urea (PubChem CID 110874504) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 1-propyl-3-(thiophen-3-ylmethyl)urea.

Molecular Properties

Compound Name1-propyl-3-(thiophen-3-ylmethyl)urea
PubChem CID110874504
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name1-propyl-3-(thiophen-3-ylmethyl)urea
SMILESCCCNC(=O)NCc1ccsc1
InChIInChI=1S/C9H14N2OS/c1-2-4-10-9(12)11-6-8-3-5-13-7-8/h3,5,7H,2,4,6H2,1H3,(H2,10,11,12)
InChIKeySDECKVYJRFZYAK-UHFFFAOYSA-N
XLogP1.96
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-propyl-3-(thiophen-3-ylmethyl)urea?
The IUPAC name of 1-propyl-3-(thiophen-3-ylmethyl)urea (CID 110874504) is 1-propyl-3-(thiophen-3-ylmethyl)urea.
What is the SMILES notation for 1-propyl-3-(thiophen-3-ylmethyl)urea?
The canonical SMILES for 1-propyl-3-(thiophen-3-ylmethyl)urea is CCCNC(=O)NCc1ccsc1.
What is the InChIKey of 1-propyl-3-(thiophen-3-ylmethyl)urea?
The InChIKey is SDECKVYJRFZYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-2-4-10-9(12)11-6-8-3-5-13-7-8/h3,5,7H,2,4,6H2,1H3,(H2,10,11,12).
What are the key properties of 1-propyl-3-(thiophen-3-ylmethyl)urea?
1-propyl-3-(thiophen-3-ylmethyl)urea has a molecular weight of 198.29 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-3-(thiophen-3-ylmethyl)urea is sourced from PubChem (CID 110874504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).