1-(thiophen-2-ylmethyl)-3-(1-thiophen-2-ylpropan-2-yl)urea

C13H16N2OS2 — CID 45497246

IUPAC1-(thiophen-2-ylmethyl)-3-(1-thiophen-2-ylpropan-2-yl)urea
SMILESCC(Cc1cccs1)NC(=O)NCc1cccs1
InChIInChI=1S/C13H16N2OS2/c1-10(8-11-4-2-6-17-11)15-13(16)14-9-12-5-3-7-18-12/h2-7,10H,8-9H2,1H3,(H2,14,15,16)
InChIKeyNYJHISWJMHGFDV-UHFFFAOYSA-N
MW280.42 g/mol
LogP3.24
Rot. Bonds5

About 1-(thiophen-2-ylmethyl)-3-(1-thiophen-2-ylpropan-2-yl)urea

1-(thiophen-2-ylmethyl)-3-(1-thiophen-2-ylpropan-2-yl)urea (PubChem CID 45497246) has the molecular formula C13H16N2OS2 and a molecular weight of 280.42 g/mol. Its IUPAC name is 1-(thiophen-2-ylmethyl)-3-(1-thiophen-2-ylpropan-2-yl)urea.

Molecular Properties

Compound Name1-(thiophen-2-ylmethyl)-3-(1-thiophen-2-ylpropan-2-yl)urea
PubChem CID45497246
Molecular FormulaC13H16N2OS2
Molecular Weight280.42 g/mol
Exact Mass280.07
IUPAC Name1-(thiophen-2-ylmethyl)-3-(1-thiophen-2-ylpropan-2-yl)urea
SMILESCC(Cc1cccs1)NC(=O)NCc1cccs1
InChIInChI=1S/C13H16N2OS2/c1-10(8-11-4-2-6-17-11)15-13(16)14-9-12-5-3-7-18-12/h2-7,10H,8-9H2,1H3,(H2,14,15,16)
InChIKeyNYJHISWJMHGFDV-UHFFFAOYSA-N
XLogP3.24
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2R)-1-methoxypropan-2-yl]-3-(thiophen-2-ylmethyl)urea
CID 94744411
1-butyl-3-(1-thiophen-2-ylpropan-2-yl)urea
CID 115579833
2-[(1-thiophen-2-ylpropan-2-ylcarbamoylamino)methyl]butanoic acid
CID 65226264
1-[(2,4-dimethoxyphenyl)methyl]-3-(1-thiophen-2-ylpropan-2-yl)urea
CID 87039146
1-(1-cyclopropylethyl)-3-(thiophen-2-ylmethyl)urea
CID 47125498
(2S,3R)-3-hydroxy-2-(thiophen-2-ylmethylcarbamoylamino)butanoic acid
CID 104965843
1-(1-morpholin-4-ylpropan-2-yl)-3-(thiophen-2-ylmethyl)urea
CID 47218856
3-hydroxy-2-(1-thiophen-2-ylpropan-2-ylcarbamoylamino)butanoic acid
CID 55171570
methyl (2S)-3-methyl-2-(thiophen-2-ylmethylcarbamoylamino)butanoate
CID 663465
2-(1-thiophen-2-ylpropan-2-ylcarbamoylamino)butanoic acid
CID 55171571
(2S)-3-hydroxy-2-(1-thiophen-2-ylpropan-2-ylcarbamoylamino)propanoic acid
CID 63292410
2,3-dimethyl-4-oxo-4-(1-thiophen-2-ylpropan-2-ylcarbamoylamino)but-2-enoic acid
CID 76994566

Frequently Asked Questions

What is the IUPAC name of 1-(thiophen-2-ylmethyl)-3-(1-thiophen-2-ylpropan-2-yl)urea?
The IUPAC name of 1-(thiophen-2-ylmethyl)-3-(1-thiophen-2-ylpropan-2-yl)urea (CID 45497246) is 1-(thiophen-2-ylmethyl)-3-(1-thiophen-2-ylpropan-2-yl)urea.
What is the SMILES notation for 1-(thiophen-2-ylmethyl)-3-(1-thiophen-2-ylpropan-2-yl)urea?
The canonical SMILES for 1-(thiophen-2-ylmethyl)-3-(1-thiophen-2-ylpropan-2-yl)urea is CC(Cc1cccs1)NC(=O)NCc1cccs1.
What is the InChIKey of 1-(thiophen-2-ylmethyl)-3-(1-thiophen-2-ylpropan-2-yl)urea?
The InChIKey is NYJHISWJMHGFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS2/c1-10(8-11-4-2-6-17-11)15-13(16)14-9-12-5-3-7-18-12/h2-7,10H,8-9H2,1H3,(H2,14,15,16).
What are the key properties of 1-(thiophen-2-ylmethyl)-3-(1-thiophen-2-ylpropan-2-yl)urea?
1-(thiophen-2-ylmethyl)-3-(1-thiophen-2-ylpropan-2-yl)urea has a molecular weight of 280.42 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiophen-2-ylmethyl)-3-(1-thiophen-2-ylpropan-2-yl)urea is sourced from PubChem (CID 45497246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).