1-propyl-3-thiophen-3-ylurea

C8H12N2OS — CID 58748929

IUPAC1-propyl-3-thiophen-3-ylurea
SMILESCCCNC(=O)Nc1ccsc1
InChIInChI=1S/C8H12N2OS/c1-2-4-9-8(11)10-7-3-5-12-6-7/h3,5-6H,2,4H2,1H3,(H2,9,10,11)
InChIKeyMASYEDTVUBUUAM-UHFFFAOYSA-N
MW184.26 g/mol
LogP2.28
Rot. Bonds3

About 1-propyl-3-thiophen-3-ylurea

1-propyl-3-thiophen-3-ylurea (PubChem CID 58748929) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is 1-propyl-3-thiophen-3-ylurea.

Molecular Properties

Compound Name1-propyl-3-thiophen-3-ylurea
PubChem CID58748929
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name1-propyl-3-thiophen-3-ylurea
SMILESCCCNC(=O)Nc1ccsc1
InChIInChI=1S/C8H12N2OS/c1-2-4-9-8(11)10-7-3-5-12-6-7/h3,5-6H,2,4H2,1H3,(H2,9,10,11)
InChIKeyMASYEDTVUBUUAM-UHFFFAOYSA-N
XLogP2.28
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 52.28
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-ylurea?
The IUPAC name of 1-propyl-3-thiophen-3-ylurea (CID 58748929) is 1-propyl-3-thiophen-3-ylurea.
What is the SMILES notation for 1-propyl-3-thiophen-3-ylurea?
The canonical SMILES for 1-propyl-3-thiophen-3-ylurea is CCCNC(=O)Nc1ccsc1.
What is the InChIKey of 1-propyl-3-thiophen-3-ylurea?
The InChIKey is MASYEDTVUBUUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-2-4-9-8(11)10-7-3-5-12-6-7/h3,5-6H,2,4H2,1H3,(H2,9,10,11).
What are the key properties of 1-propyl-3-thiophen-3-ylurea?
1-propyl-3-thiophen-3-ylurea has a molecular weight of 184.26 g/mol, XLogP of 2.28, 3 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-ylurea is sourced from PubChem (CID 58748929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).