1-prop-2-enyl-3-(thiophen-2-ylmethyl)urea

C9H12N2OS — CID 110706901

IUPAC1-prop-2-enyl-3-(thiophen-2-ylmethyl)urea
SMILESC=CCNC(=O)NCc1cccs1
InChIInChI=1S/C9H12N2OS/c1-2-5-10-9(12)11-7-8-4-3-6-13-8/h2-4,6H,1,5,7H2,(H2,10,11,12)
InChIKeyNCKMUFDHGQJIBQ-UHFFFAOYSA-N
MW196.27 g/mol
LogP1.73
Rot. Bonds4

About 1-prop-2-enyl-3-(thiophen-2-ylmethyl)urea

1-prop-2-enyl-3-(thiophen-2-ylmethyl)urea (PubChem CID 110706901) has the molecular formula C9H12N2OS and a molecular weight of 196.27 g/mol. Its IUPAC name is 1-prop-2-enyl-3-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-prop-2-enyl-3-(thiophen-2-ylmethyl)urea
PubChem CID110706901
Molecular FormulaC9H12N2OS
Molecular Weight196.27 g/mol
Exact Mass196.07
IUPAC Name1-prop-2-enyl-3-(thiophen-2-ylmethyl)urea
SMILESC=CCNC(=O)NCc1cccs1
InChIInChI=1S/C9H12N2OS/c1-2-5-10-9(12)11-7-8-4-3-6-13-8/h2-4,6H,1,5,7H2,(H2,10,11,12)
InChIKeyNCKMUFDHGQJIBQ-UHFFFAOYSA-N
XLogP1.73
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-prop-2-enyl-3-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]urea
CID 121131918
N-[4-(prop-2-enylcarbamoylamino)phenyl]-2-thiophen-2-ylacetamide
CID 38019423
N,N'-bis(thiophen-2-ylmethyl)oxamide
CID 6421749
3-(thiophen-2-ylmethylcarbamoylamino)propanoic acid
CID 16794949
1-(2-hydroxy-2-thiophen-2-ylethyl)-3-prop-2-enylurea
CID 90500385
N,N-dimethyl-2-[[(prop-2-enylamino)-(thiophen-2-ylmethylamino)methylidene]amino]acetamide
CID 110982281
1-[(4-fluorophenyl)methyl]-3-(thiophen-2-ylmethyl)urea
CID 3700183
1-(pyridin-2-ylmethyl)-3-(thiophen-2-ylmethyl)urea
CID 47125825
1-(3-methylbutyl)-3-(thiophen-2-ylmethyl)urea
CID 110706923
1-(cyclopentylmethyl)-3-(thiophen-2-ylmethyl)urea
CID 47027615
1-[4-(2-prop-2-enylphenoxy)but-2-ynyl]-3-(thiophen-2-ylmethyl)urea
CID 90577055
2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enyl-3-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-prop-2-enyl-3-(thiophen-2-ylmethyl)urea (CID 110706901) is 1-prop-2-enyl-3-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-prop-2-enyl-3-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-prop-2-enyl-3-(thiophen-2-ylmethyl)urea is C=CCNC(=O)NCc1cccs1.
What is the InChIKey of 1-prop-2-enyl-3-(thiophen-2-ylmethyl)urea?
The InChIKey is NCKMUFDHGQJIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS/c1-2-5-10-9(12)11-7-8-4-3-6-13-8/h2-4,6H,1,5,7H2,(H2,10,11,12).
What are the key properties of 1-prop-2-enyl-3-(thiophen-2-ylmethyl)urea?
1-prop-2-enyl-3-(thiophen-2-ylmethyl)urea has a molecular weight of 196.27 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-3-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 110706901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).