1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(2-methylcyclopropyl)urea

C12H18N2O2S — CID 111450609

IUPAC1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(2-methylcyclopropyl)urea
SMILESCC1CC1NC(=O)NCC(C)(O)c1ccsc1
InChIInChI=1S/C12H18N2O2S/c1-8-5-10(8)14-11(15)13-7-12(2,16)9-3-4-17-6-9/h3-4,6,8,10,16H,5,7H2,1-2H3,(H2,13,14,15)
InChIKeyWMHDCYIWRXOTTH-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.66
Rot. Bonds4

About 1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(2-methylcyclopropyl)urea

1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(2-methylcyclopropyl)urea (PubChem CID 111450609) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(2-methylcyclopropyl)urea.

Molecular Properties

Compound Name1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(2-methylcyclopropyl)urea
PubChem CID111450609
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(2-methylcyclopropyl)urea
SMILESCC1CC1NC(=O)NCC(C)(O)c1ccsc1
InChIInChI=1S/C12H18N2O2S/c1-8-5-10(8)14-11(15)13-7-12(2,16)9-3-4-17-6-9/h3-4,6,8,10,16H,5,7H2,1-2H3,(H2,13,14,15)
InChIKeyWMHDCYIWRXOTTH-UHFFFAOYSA-N
XLogP1.66
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-Cyclohexyl-3-[2-cyclopropyl-2-hydroxy-2-(thiophen-2-yl)ethyl]urea
CID 71781782
1-Cyclohexyl-3-(2-hydroxy-2-(3-methylthiophen-2-yl)ethyl)urea
CID 56764079
1-(2-Hydroxy-2-thiophen-3-ylpropyl)-3-(thian-4-yl)urea
CID 72002875
1-(2-Hydroxy-2-thiophen-2-ylethyl)-3-(3-methylpentan-2-yl)urea
CID 72129827
1-(2-Bromoprop-2-enyl)-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea
CID 75422049
1,1-Diethyl-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
CID 86790705
1-[(2S)-1-hydroxybutan-2-yl]-3-(2-thiophen-3-ylpropyl)urea
CID 91661697
1-cyclohexyl-3-[(2S)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]urea
CID 95367095
1-cyclohexyl-3-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]urea
CID 95983514
1-ethyl-1-(2-hydroxy-2-methylpropyl)-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea
CID 97099246
1-[2-(2-Fluorophenyl)cyclopropyl]-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea
CID 72002898
1-(2-Hydroxy-2-thiophen-3-ylethyl)-3-[4-(trifluoromethyl)cyclohexyl]urea
CID 72129282

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(2-methylcyclopropyl)urea?
The IUPAC name of 1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(2-methylcyclopropyl)urea (CID 111450609) is 1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(2-methylcyclopropyl)urea.
What is the SMILES notation for 1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(2-methylcyclopropyl)urea?
The canonical SMILES for 1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(2-methylcyclopropyl)urea is CC1CC1NC(=O)NCC(C)(O)c1ccsc1.
What is the InChIKey of 1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(2-methylcyclopropyl)urea?
The InChIKey is WMHDCYIWRXOTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-8-5-10(8)14-11(15)13-7-12(2,16)9-3-4-17-6-9/h3-4,6,8,10,16H,5,7H2,1-2H3,(H2,13,14,15).
What are the key properties of 1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(2-methylcyclopropyl)urea?
1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(2-methylcyclopropyl)urea has a molecular weight of 254.35 g/mol, XLogP of 1.66, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(2-methylcyclopropyl)urea is sourced from PubChem (CID 111450609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).