1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[(2,5-dimethylthiophen-3-yl)methyl]urea

C14H22N2O2S — CID 75427114

IUPAC1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[(2,5-dimethylthiophen-3-yl)methyl]urea
SMILESCc1cc(CNC(=O)NC(C)(CO)C2CC2)c(C)s1
InChIInChI=1S/C14H22N2O2S/c1-9-6-11(10(2)19-9)7-15-13(18)16-14(3,8-17)12-4-5-12/h6,12,17H,4-5,7-8H2,1-3H3,(H2,15,16,18)
InChIKeyDKVUJIVDVKWLAE-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.33
Rot. Bonds5

About 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[(2,5-dimethylthiophen-3-yl)methyl]urea

1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[(2,5-dimethylthiophen-3-yl)methyl]urea (PubChem CID 75427114) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[(2,5-dimethylthiophen-3-yl)methyl]urea.

Molecular Properties

Compound Name1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[(2,5-dimethylthiophen-3-yl)methyl]urea
PubChem CID75427114
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[(2,5-dimethylthiophen-3-yl)methyl]urea
SMILESCc1cc(CNC(=O)NC(C)(CO)C2CC2)c(C)s1
InChIInChI=1S/C14H22N2O2S/c1-9-6-11(10(2)19-9)7-15-13(18)16-14(3,8-17)12-4-5-12/h6,12,17H,4-5,7-8H2,1-3H3,(H2,15,16,18)
InChIKeyDKVUJIVDVKWLAE-UHFFFAOYSA-N
XLogP2.33
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(5-Bromothiophen-2-yl)ethyl]-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea
CID 75381494
1-[(5-Bromothiophen-2-yl)methyl]-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea
CID 75427079
1-(2-Cyclopropyl-2-hydroxypropyl)-3-(thiophen-2-ylmethyl)urea
CID 56764389
1-[2-(Hydroxymethyl)cyclohexyl]-3-[(3-methylthiophen-2-yl)methyl]urea
CID 71864362
1-(1-Hydroxy-3-methylpentan-3-yl)-3-(2-thiophen-3-ylpropyl)urea
CID 75385788
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-[(2S)-1-hydroxy-3-methylbutan-2-yl]urea
CID 84586282
1-[(2S)-1-hydroxybutan-2-yl]-3-(2-thiophen-3-ylpropyl)urea
CID 91661697
1-[(3-Hydroxycyclopentyl)methyl]-3-[(5-methylthiophen-2-yl)methyl]urea
CID 121517249
1-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]-3-(oxan-4-yl)urea
CID 129370932
1-(2,2-difluoroethyl)-3-[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]-1-(2-hydroxyethyl)urea
CID 124628077
1-(2,2-difluoroethyl)-3-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]-1-(2-hydroxyethyl)urea
CID 124628078
1-(2-Cyclohexyl-2-hydroxyethyl)-3-(thiophen-2-ylmethyl)urea
CID 56764366

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[(2,5-dimethylthiophen-3-yl)methyl]urea?
The IUPAC name of 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[(2,5-dimethylthiophen-3-yl)methyl]urea (CID 75427114) is 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[(2,5-dimethylthiophen-3-yl)methyl]urea.
What is the SMILES notation for 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[(2,5-dimethylthiophen-3-yl)methyl]urea?
The canonical SMILES for 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[(2,5-dimethylthiophen-3-yl)methyl]urea is Cc1cc(CNC(=O)NC(C)(CO)C2CC2)c(C)s1.
What is the InChIKey of 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[(2,5-dimethylthiophen-3-yl)methyl]urea?
The InChIKey is DKVUJIVDVKWLAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-9-6-11(10(2)19-9)7-15-13(18)16-14(3,8-17)12-4-5-12/h6,12,17H,4-5,7-8H2,1-3H3,(H2,15,16,18).
What are the key properties of 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[(2,5-dimethylthiophen-3-yl)methyl]urea?
1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[(2,5-dimethylthiophen-3-yl)methyl]urea has a molecular weight of 282.41 g/mol, XLogP of 2.33, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[(2,5-dimethylthiophen-3-yl)methyl]urea is sourced from PubChem (CID 75427114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).