1-[(4-chlorothiophen-3-yl)methyl]-3-(2-hydroxyethyl)urea

C8H11ClN2O2S — CID 141010392

IUPAC1-[(4-chlorothiophen-3-yl)methyl]-3-(2-hydroxyethyl)urea
SMILESO=C(NCCO)NCc1cscc1Cl
InChIInChI=1S/C8H11ClN2O2S/c9-7-5-14-4-6(7)3-11-8(13)10-1-2-12/h4-5,12H,1-3H2,(H2,10,11,13)
InChIKeyRTVHGVKZYCGPIV-UHFFFAOYSA-N
MW234.71 g/mol
LogP1.19
Rot. Bonds4

About 1-[(4-chlorothiophen-3-yl)methyl]-3-(2-hydroxyethyl)urea

1-[(4-chlorothiophen-3-yl)methyl]-3-(2-hydroxyethyl)urea (PubChem CID 141010392) has the molecular formula C8H11ClN2O2S and a molecular weight of 234.71 g/mol. Its IUPAC name is 1-[(4-chlorothiophen-3-yl)methyl]-3-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-[(4-chlorothiophen-3-yl)methyl]-3-(2-hydroxyethyl)urea
PubChem CID141010392
Molecular FormulaC8H11ClN2O2S
Molecular Weight234.71 g/mol
Exact Mass234.02
IUPAC Name1-[(4-chlorothiophen-3-yl)methyl]-3-(2-hydroxyethyl)urea
SMILESO=C(NCCO)NCc1cscc1Cl
InChIInChI=1S/C8H11ClN2O2S/c9-7-5-14-4-6(7)3-11-8(13)10-1-2-12/h4-5,12H,1-3H2,(H2,10,11,13)
InChIKeyRTVHGVKZYCGPIV-UHFFFAOYSA-N
XLogP1.19
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.71
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2,5-dichlorothiophen-3-yl)methyl]-3-[(2R)-1-hydroxybutan-2-yl]urea
CID 122134751
1-[(4-Chlorothiophen-3-yl)methyl]-1-(2-hydroxyethyl)-3-methylurea
CID 141010373
1-[(4-Chlorothiophen-3-yl)methyl]-3-methylurea
CID 141010389
1-[(4-Chlorothiophen-3-yl)methyl]-1-ethyl-3-methylurea
CID 141010408
1-[(4-Chlorothiophen-3-yl)methyl]-3-ethyl-1-methylurea
CID 141010433
1-(2-Hydroxyethyl)-1-methyl-3-(thiophen-3-ylmethyl)urea
CID 109923269
2-[(4-Chlorothiophen-3-yl)methylamino]ethanol
CID 131224223

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorothiophen-3-yl)methyl]-3-(2-hydroxyethyl)urea?
The IUPAC name of 1-[(4-chlorothiophen-3-yl)methyl]-3-(2-hydroxyethyl)urea (CID 141010392) is 1-[(4-chlorothiophen-3-yl)methyl]-3-(2-hydroxyethyl)urea.
What is the SMILES notation for 1-[(4-chlorothiophen-3-yl)methyl]-3-(2-hydroxyethyl)urea?
The canonical SMILES for 1-[(4-chlorothiophen-3-yl)methyl]-3-(2-hydroxyethyl)urea is O=C(NCCO)NCc1cscc1Cl.
What is the InChIKey of 1-[(4-chlorothiophen-3-yl)methyl]-3-(2-hydroxyethyl)urea?
The InChIKey is RTVHGVKZYCGPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O2S/c9-7-5-14-4-6(7)3-11-8(13)10-1-2-12/h4-5,12H,1-3H2,(H2,10,11,13).
What are the key properties of 1-[(4-chlorothiophen-3-yl)methyl]-3-(2-hydroxyethyl)urea?
1-[(4-chlorothiophen-3-yl)methyl]-3-(2-hydroxyethyl)urea has a molecular weight of 234.71 g/mol, XLogP of 1.19, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorothiophen-3-yl)methyl]-3-(2-hydroxyethyl)urea is sourced from PubChem (CID 141010392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).