1-(4-hydroxy-3-methylbutan-2-yl)-3-(thiophen-3-ylmethyl)urea

C11H18N2O2S — CID 111454363

IUPAC1-(4-hydroxy-3-methylbutan-2-yl)-3-(thiophen-3-ylmethyl)urea
SMILESCC(CO)C(C)NC(=O)NCc1ccsc1
InChIInChI=1S/C11H18N2O2S/c1-8(6-14)9(2)13-11(15)12-5-10-3-4-16-7-10/h3-4,7-9,14H,5-6H2,1-2H3,(H2,12,13,15)
InChIKeyYWVWVRFNGFGSJU-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.56
Rot. Bonds5

About 1-(4-hydroxy-3-methylbutan-2-yl)-3-(thiophen-3-ylmethyl)urea

1-(4-hydroxy-3-methylbutan-2-yl)-3-(thiophen-3-ylmethyl)urea (PubChem CID 111454363) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 1-(4-hydroxy-3-methylbutan-2-yl)-3-(thiophen-3-ylmethyl)urea.

Molecular Properties

Compound Name1-(4-hydroxy-3-methylbutan-2-yl)-3-(thiophen-3-ylmethyl)urea
PubChem CID111454363
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name1-(4-hydroxy-3-methylbutan-2-yl)-3-(thiophen-3-ylmethyl)urea
SMILESCC(CO)C(C)NC(=O)NCc1ccsc1
InChIInChI=1S/C11H18N2O2S/c1-8(6-14)9(2)13-11(15)12-5-10-3-4-16-7-10/h3-4,7-9,14H,5-6H2,1-2H3,(H2,12,13,15)
InChIKeyYWVWVRFNGFGSJU-UHFFFAOYSA-N
XLogP1.56
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-hydroxy-3-methylbutan-2-yl)-3-[(4-methylsulfanylphenyl)methyl]urea
CID 111454837
1-(4-hydroxy-2-methylbutyl)-3-(thiophen-3-ylmethyl)urea
CID 111504571
1-(4-hydroxy-3-methylbutan-2-yl)-3-[(3-methylthiophen-2-yl)methyl]urea
CID 111454882
1-[(3-fluoro-4-methylphenyl)methyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 111444613
1-[(3-fluoro-4-hydroxyphenyl)methyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 111455721
2-(thiophen-3-ylmethylcarbamoylamino)pentanedioic acid
CID 55175256
4-amino-4-oxo-2-(thiophen-3-ylmethylcarbamoylamino)butanoic acid
CID 63244227
1-prop-2-ynyl-3-(thiophen-3-ylmethyl)urea
CID 130682664
1-(4-hydroxy-3-methylbutan-2-yl)-3-[(4-methoxy-3-methylphenyl)methyl]urea
CID 111455101
(2R)-2-(thiophen-3-ylmethylamino)propanoic acid
CID 51883451
2,3-dimethyl-4-oxo-4-(thiophen-3-ylmethylamino)butanoic acid
CID 103498386
1-[[6-(diethylamino)-3-pyridinyl]methyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 111454346

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-3-methylbutan-2-yl)-3-(thiophen-3-ylmethyl)urea?
The IUPAC name of 1-(4-hydroxy-3-methylbutan-2-yl)-3-(thiophen-3-ylmethyl)urea (CID 111454363) is 1-(4-hydroxy-3-methylbutan-2-yl)-3-(thiophen-3-ylmethyl)urea.
What is the SMILES notation for 1-(4-hydroxy-3-methylbutan-2-yl)-3-(thiophen-3-ylmethyl)urea?
The canonical SMILES for 1-(4-hydroxy-3-methylbutan-2-yl)-3-(thiophen-3-ylmethyl)urea is CC(CO)C(C)NC(=O)NCc1ccsc1.
What is the InChIKey of 1-(4-hydroxy-3-methylbutan-2-yl)-3-(thiophen-3-ylmethyl)urea?
The InChIKey is YWVWVRFNGFGSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-8(6-14)9(2)13-11(15)12-5-10-3-4-16-7-10/h3-4,7-9,14H,5-6H2,1-2H3,(H2,12,13,15).
What are the key properties of 1-(4-hydroxy-3-methylbutan-2-yl)-3-(thiophen-3-ylmethyl)urea?
1-(4-hydroxy-3-methylbutan-2-yl)-3-(thiophen-3-ylmethyl)urea has a molecular weight of 242.34 g/mol, XLogP of 1.56, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-3-methylbutan-2-yl)-3-(thiophen-3-ylmethyl)urea is sourced from PubChem (CID 111454363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).