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

C10H16N2OS — CID 110874506

IUPAC1-methyl-3-propyl-1-(thiophen-3-ylmethyl)urea
SMILESCCCNC(=O)N(C)Cc1ccsc1
InChIInChI=1S/C10H16N2OS/c1-3-5-11-10(13)12(2)7-9-4-6-14-8-9/h4,6,8H,3,5,7H2,1-2H3,(H,11,13)
InChIKeyKNCNWNJNIQCETR-UHFFFAOYSA-N
MW212.32 g/mol
LogP2.30
Rot. Bonds4

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

1-methyl-3-propyl-1-(thiophen-3-ylmethyl)urea (PubChem CID 110874506) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 1-methyl-3-propyl-1-(thiophen-3-ylmethyl)urea.

Molecular Properties

Compound Name1-methyl-3-propyl-1-(thiophen-3-ylmethyl)urea
PubChem CID110874506
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name1-methyl-3-propyl-1-(thiophen-3-ylmethyl)urea
SMILESCCCNC(=O)N(C)Cc1ccsc1
InChIInChI=1S/C10H16N2OS/c1-3-5-11-10(13)12(2)7-9-4-6-14-8-9/h4,6,8H,3,5,7H2,1-2H3,(H,11,13)
InChIKeyKNCNWNJNIQCETR-UHFFFAOYSA-N
XLogP2.30
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-methyl-3-propyl-1-(thiophen-3-ylmethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propyl-1-(thiophen-3-ylmethyl)urea?
The IUPAC name of 1-methyl-3-propyl-1-(thiophen-3-ylmethyl)urea (CID 110874506) is 1-methyl-3-propyl-1-(thiophen-3-ylmethyl)urea.
What is the SMILES notation for 1-methyl-3-propyl-1-(thiophen-3-ylmethyl)urea?
The canonical SMILES for 1-methyl-3-propyl-1-(thiophen-3-ylmethyl)urea is CCCNC(=O)N(C)Cc1ccsc1.
What is the InChIKey of 1-methyl-3-propyl-1-(thiophen-3-ylmethyl)urea?
The InChIKey is KNCNWNJNIQCETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-3-5-11-10(13)12(2)7-9-4-6-14-8-9/h4,6,8H,3,5,7H2,1-2H3,(H,11,13).
What are the key properties of 1-methyl-3-propyl-1-(thiophen-3-ylmethyl)urea?
1-methyl-3-propyl-1-(thiophen-3-ylmethyl)urea has a molecular weight of 212.32 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propyl-1-(thiophen-3-ylmethyl)urea is sourced from PubChem (CID 110874506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).