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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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).