1-(1-hydroxybutan-2-yl)-3-thiophen-2-ylurea

C9H14N2O2S — CID 108889196

IUPAC1-(1-hydroxybutan-2-yl)-3-thiophen-2-ylurea
SMILESCCC(CO)NC(=O)Nc1cccs1
InChIInChI=1S/C9H14N2O2S/c1-2-7(6-12)10-9(13)11-8-4-3-5-14-8/h3-5,7,12H,2,6H2,1H3,(H2,10,11,13)
InChIKeyDFWFCOKSNANZIK-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.64
Rot. Bonds4

About 1-(1-hydroxybutan-2-yl)-3-thiophen-2-ylurea

1-(1-hydroxybutan-2-yl)-3-thiophen-2-ylurea (PubChem CID 108889196) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 1-(1-hydroxybutan-2-yl)-3-thiophen-2-ylurea.

Molecular Properties

Compound Name1-(1-hydroxybutan-2-yl)-3-thiophen-2-ylurea
PubChem CID108889196
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name1-(1-hydroxybutan-2-yl)-3-thiophen-2-ylurea
SMILESCCC(CO)NC(=O)Nc1cccs1
InChIInChI=1S/C9H14N2O2S/c1-2-7(6-12)10-9(13)11-8-4-3-5-14-8/h3-5,7,12H,2,6H2,1H3,(H2,10,11,13)
InChIKeyDFWFCOKSNANZIK-UHFFFAOYSA-N
XLogP1.64
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-hydroxypropan-2-yl)-3-thiophen-2-ylurea
CID 131154153
1-[2,6-di(propan-2-yl)phenyl]-3-(1-hydroxybutan-2-yl)urea
CID 110890372
1-(2-hydroxypropyl)-3-thiophen-2-ylurea
CID 117235204
1-(2,3-difluorophenyl)-3-(1-hydroxybutan-2-yl)urea
CID 110908511
1-(1-hydroxypentan-3-yl)-3-(3-thiophen-2-ylphenyl)urea
CID 111453355
1-(3,5-dihydroxyphenyl)-3-(1-hydroxybutan-2-yl)urea
CID 108895499
1-(3,4-dimethylphenyl)-3-(1-hydroxybutan-2-yl)urea
CID 108894071
1-[3-[(dimethylamino)methyl]phenyl]-3-(1-hydroxybutan-2-yl)urea
CID 47202599
1-(1-hydroxy-4-methylpentan-2-yl)-3-(1-thiophen-2-ylpropyl)urea
CID 75383509
1-[(2R)-1-hydroxy-4-methylpentan-2-yl]-3-[(1S)-1-thiophen-2-ylpropyl]urea
CID 97233716
2-cyano-N-thiophen-2-ylbutanamide
CID 115188104
1-(1-hydroxybutan-2-yl)-3-methylurea
CID 115279269

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxybutan-2-yl)-3-thiophen-2-ylurea?
The IUPAC name of 1-(1-hydroxybutan-2-yl)-3-thiophen-2-ylurea (CID 108889196) is 1-(1-hydroxybutan-2-yl)-3-thiophen-2-ylurea.
What is the SMILES notation for 1-(1-hydroxybutan-2-yl)-3-thiophen-2-ylurea?
The canonical SMILES for 1-(1-hydroxybutan-2-yl)-3-thiophen-2-ylurea is CCC(CO)NC(=O)Nc1cccs1.
What is the InChIKey of 1-(1-hydroxybutan-2-yl)-3-thiophen-2-ylurea?
The InChIKey is DFWFCOKSNANZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-2-7(6-12)10-9(13)11-8-4-3-5-14-8/h3-5,7,12H,2,6H2,1H3,(H2,10,11,13).
What are the key properties of 1-(1-hydroxybutan-2-yl)-3-thiophen-2-ylurea?
1-(1-hydroxybutan-2-yl)-3-thiophen-2-ylurea has a molecular weight of 214.29 g/mol, XLogP of 1.64, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxybutan-2-yl)-3-thiophen-2-ylurea is sourced from PubChem (CID 108889196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).