1-(2-hydroxyethyl)-3-(5-methylthiophen-2-yl)-1-propan-2-ylurea

C11H18N2O2S — CID 136529240

IUPAC1-(2-hydroxyethyl)-3-(5-methylthiophen-2-yl)-1-propan-2-ylurea
SMILESCc1ccc(NC(=O)N(CCO)C(C)C)s1
InChIInChI=1S/C11H18N2O2S/c1-8(2)13(6-7-14)11(15)12-10-5-4-9(3)16-10/h4-5,8,14H,6-7H2,1-3H3,(H,12,15)
InChIKeyJZKRPRFFTLBFOR-UHFFFAOYSA-N
MW242.34 g/mol
LogP2.29
Rot. Bonds4

About 1-(2-hydroxyethyl)-3-(5-methylthiophen-2-yl)-1-propan-2-ylurea

1-(2-hydroxyethyl)-3-(5-methylthiophen-2-yl)-1-propan-2-ylurea (PubChem CID 136529240) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-(5-methylthiophen-2-yl)-1-propan-2-ylurea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-(5-methylthiophen-2-yl)-1-propan-2-ylurea
PubChem CID136529240
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name1-(2-hydroxyethyl)-3-(5-methylthiophen-2-yl)-1-propan-2-ylurea
SMILESCc1ccc(NC(=O)N(CCO)C(C)C)s1
InChIInChI=1S/C11H18N2O2S/c1-8(2)13(6-7-14)11(15)12-10-5-4-9(3)16-10/h4-5,8,14H,6-7H2,1-3H3,(H,12,15)
InChIKeyJZKRPRFFTLBFOR-UHFFFAOYSA-N
XLogP2.29
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-(5-methylthiophen-2-yl)-1-propan-2-ylurea?
The IUPAC name of 1-(2-hydroxyethyl)-3-(5-methylthiophen-2-yl)-1-propan-2-ylurea (CID 136529240) is 1-(2-hydroxyethyl)-3-(5-methylthiophen-2-yl)-1-propan-2-ylurea.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-(5-methylthiophen-2-yl)-1-propan-2-ylurea?
The canonical SMILES for 1-(2-hydroxyethyl)-3-(5-methylthiophen-2-yl)-1-propan-2-ylurea is Cc1ccc(NC(=O)N(CCO)C(C)C)s1.
What is the InChIKey of 1-(2-hydroxyethyl)-3-(5-methylthiophen-2-yl)-1-propan-2-ylurea?
The InChIKey is JZKRPRFFTLBFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-8(2)13(6-7-14)11(15)12-10-5-4-9(3)16-10/h4-5,8,14H,6-7H2,1-3H3,(H,12,15).
What are the key properties of 1-(2-hydroxyethyl)-3-(5-methylthiophen-2-yl)-1-propan-2-ylurea?
1-(2-hydroxyethyl)-3-(5-methylthiophen-2-yl)-1-propan-2-ylurea has a molecular weight of 242.34 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-(5-methylthiophen-2-yl)-1-propan-2-ylurea is sourced from PubChem (CID 136529240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).