1-[2-(4-chlorophenyl)ethyl]-3-[1-(thiadiazol-4-yl)ethyl]urea

C13H15ClN4OS — CID 166237014

IUPAC1-[2-(4-chlorophenyl)ethyl]-3-[1-(thiadiazol-4-yl)ethyl]urea
SMILESCC(NC(=O)NCCc1ccc(Cl)cc1)c1csnn1
InChIInChI=1S/C13H15ClN4OS/c1-9(12-8-20-18-17-12)16-13(19)15-7-6-10-2-4-11(14)5-3-10/h2-5,8-9H,6-7H2,1H3,(H2,15,16,19)
InChIKeyHBSLPYUHVHPDTJ-UHFFFAOYSA-N
MW310.81 g/mol
LogP2.79
Rot. Bonds5

About 1-[2-(4-chlorophenyl)ethyl]-3-[1-(thiadiazol-4-yl)ethyl]urea

1-[2-(4-chlorophenyl)ethyl]-3-[1-(thiadiazol-4-yl)ethyl]urea (PubChem CID 166237014) has the molecular formula C13H15ClN4OS and a molecular weight of 310.81 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)ethyl]-3-[1-(thiadiazol-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)ethyl]-3-[1-(thiadiazol-4-yl)ethyl]urea
PubChem CID166237014
Molecular FormulaC13H15ClN4OS
Molecular Weight310.81 g/mol
Exact Mass310.07
IUPAC Name1-[2-(4-chlorophenyl)ethyl]-3-[1-(thiadiazol-4-yl)ethyl]urea
SMILESCC(NC(=O)NCCc1ccc(Cl)cc1)c1csnn1
InChIInChI=1S/C13H15ClN4OS/c1-9(12-8-20-18-17-12)16-13(19)15-7-6-10-2-4-11(14)5-3-10/h2-5,8-9H,6-7H2,1H3,(H2,15,16,19)
InChIKeyHBSLPYUHVHPDTJ-UHFFFAOYSA-N
XLogP2.79
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.81
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-3-[1-(thiadiazol-4-yl)ethyl]urea?
The IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-3-[1-(thiadiazol-4-yl)ethyl]urea (CID 166237014) is 1-[2-(4-chlorophenyl)ethyl]-3-[1-(thiadiazol-4-yl)ethyl]urea.
What is the SMILES notation for 1-[2-(4-chlorophenyl)ethyl]-3-[1-(thiadiazol-4-yl)ethyl]urea?
The canonical SMILES for 1-[2-(4-chlorophenyl)ethyl]-3-[1-(thiadiazol-4-yl)ethyl]urea is CC(NC(=O)NCCc1ccc(Cl)cc1)c1csnn1.
What is the InChIKey of 1-[2-(4-chlorophenyl)ethyl]-3-[1-(thiadiazol-4-yl)ethyl]urea?
The InChIKey is HBSLPYUHVHPDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4OS/c1-9(12-8-20-18-17-12)16-13(19)15-7-6-10-2-4-11(14)5-3-10/h2-5,8-9H,6-7H2,1H3,(H2,15,16,19).
What are the key properties of 1-[2-(4-chlorophenyl)ethyl]-3-[1-(thiadiazol-4-yl)ethyl]urea?
1-[2-(4-chlorophenyl)ethyl]-3-[1-(thiadiazol-4-yl)ethyl]urea has a molecular weight of 310.81 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)ethyl]-3-[1-(thiadiazol-4-yl)ethyl]urea is sourced from PubChem (CID 166237014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).