1-(2-chlorophenyl)-3-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)urea

C14H16ClN5OS — CID 20885176

IUPAC1-(2-chlorophenyl)-3-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)urea
SMILESO=C(Nc1nnc(N2CCCCC2)s1)Nc1ccccc1Cl
InChIInChI=1S/C14H16ClN5OS/c15-10-6-2-3-7-11(10)16-12(21)17-13-18-19-14(22-13)20-8-4-1-5-9-20/h2-3,6-7H,1,4-5,8-9H2,(H2,16,17,18,21)
InChIKeyDPMOBLOTRANIAG-UHFFFAOYSA-N
MW337.84 g/mol
LogP3.83
Rot. Bonds3

About 1-(2-chlorophenyl)-3-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)urea

1-(2-chlorophenyl)-3-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)urea (PubChem CID 20885176) has the molecular formula C14H16ClN5OS and a molecular weight of 337.84 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)urea
PubChem CID20885176
Molecular FormulaC14H16ClN5OS
Molecular Weight337.84 g/mol
Exact Mass337.08
IUPAC Name1-(2-chlorophenyl)-3-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)urea
SMILESO=C(Nc1nnc(N2CCCCC2)s1)Nc1ccccc1Cl
InChIInChI=1S/C14H16ClN5OS/c15-10-6-2-3-7-11(10)16-12(21)17-13-18-19-14(22-13)20-8-4-1-5-9-20/h2-3,6-7H,1,4-5,8-9H2,(H2,16,17,18,21)
InChIKeyDPMOBLOTRANIAG-UHFFFAOYSA-N
XLogP3.83
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.84
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)urea?
The IUPAC name of 1-(2-chlorophenyl)-3-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)urea (CID 20885176) is 1-(2-chlorophenyl)-3-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)urea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)urea?
The canonical SMILES for 1-(2-chlorophenyl)-3-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)urea is O=C(Nc1nnc(N2CCCCC2)s1)Nc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)urea?
The InChIKey is DPMOBLOTRANIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN5OS/c15-10-6-2-3-7-11(10)16-12(21)17-13-18-19-14(22-13)20-8-4-1-5-9-20/h2-3,6-7H,1,4-5,8-9H2,(H2,16,17,18,21).
What are the key properties of 1-(2-chlorophenyl)-3-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)urea?
1-(2-chlorophenyl)-3-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)urea has a molecular weight of 337.84 g/mol, XLogP of 3.83, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)urea is sourced from PubChem (CID 20885176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).