1-[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]-3-(2-hydroxyethyl)urea

C11H11ClN4O2S — CID 75505433

IUPAC1-[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]-3-(2-hydroxyethyl)urea
SMILESO=C(NCCO)Nc1nc(-c2ccccc2Cl)ns1
InChIInChI=1S/C11H11ClN4O2S/c12-8-4-2-1-3-7(8)9-14-11(19-16-9)15-10(18)13-5-6-17/h1-4,17H,5-6H2,(H2,13,14,15,16,18)
InChIKeyIFHCDWJVPMWNFU-UHFFFAOYSA-N
MW298.75 g/mol
LogP1.97
Rot. Bonds4

About 1-[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]-3-(2-hydroxyethyl)urea

1-[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]-3-(2-hydroxyethyl)urea (PubChem CID 75505433) has the molecular formula C11H11ClN4O2S and a molecular weight of 298.75 g/mol. Its IUPAC name is 1-[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]-3-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]-3-(2-hydroxyethyl)urea
PubChem CID75505433
Molecular FormulaC11H11ClN4O2S
Molecular Weight298.75 g/mol
Exact Mass298.03
IUPAC Name1-[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]-3-(2-hydroxyethyl)urea
SMILESO=C(NCCO)Nc1nc(-c2ccccc2Cl)ns1
InChIInChI=1S/C11H11ClN4O2S/c12-8-4-2-1-3-7(8)9-14-11(19-16-9)15-10(18)13-5-6-17/h1-4,17H,5-6H2,(H2,13,14,15,16,18)
InChIKeyIFHCDWJVPMWNFU-UHFFFAOYSA-N
XLogP1.97
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.75
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]-3-(2-hydroxyethyl)urea?
The IUPAC name of 1-[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]-3-(2-hydroxyethyl)urea (CID 75505433) is 1-[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]-3-(2-hydroxyethyl)urea.
What is the SMILES notation for 1-[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]-3-(2-hydroxyethyl)urea?
The canonical SMILES for 1-[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]-3-(2-hydroxyethyl)urea is O=C(NCCO)Nc1nc(-c2ccccc2Cl)ns1.
What is the InChIKey of 1-[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]-3-(2-hydroxyethyl)urea?
The InChIKey is IFHCDWJVPMWNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O2S/c12-8-4-2-1-3-7(8)9-14-11(19-16-9)15-10(18)13-5-6-17/h1-4,17H,5-6H2,(H2,13,14,15,16,18).
What are the key properties of 1-[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]-3-(2-hydroxyethyl)urea?
1-[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]-3-(2-hydroxyethyl)urea has a molecular weight of 298.75 g/mol, XLogP of 1.97, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]-3-(2-hydroxyethyl)urea is sourced from PubChem (CID 75505433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).