1-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-3-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]urea

C16H17N7O2S — CID 31054438

IUPAC1-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-3-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]urea
SMILESO=C(NCCc1nc(-c2cccnc2)no1)Nc1nnc(C2CCC2)s1
InChIInChI=1S/C16H17N7O2S/c24-15(20-16-22-21-14(26-16)10-3-1-4-10)18-8-6-12-19-13(23-25-12)11-5-2-7-17-9-11/h2,5,7,9-10H,1,3-4,6,8H2,(H2,18,20,22,24)
InChIKeyJUMBEFCUOIHYPM-UHFFFAOYSA-N
MW371.43 g/mol
LogP2.61
Rot. Bonds6

About 1-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-3-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]urea

1-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-3-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]urea (PubChem CID 31054438) has the molecular formula C16H17N7O2S and a molecular weight of 371.43 g/mol. Its IUPAC name is 1-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-3-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]urea.

Molecular Properties

Compound Name1-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-3-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]urea
PubChem CID31054438
Molecular FormulaC16H17N7O2S
Molecular Weight371.43 g/mol
Exact Mass371.12
IUPAC Name1-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-3-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]urea
SMILESO=C(NCCc1nc(-c2cccnc2)no1)Nc1nnc(C2CCC2)s1
InChIInChI=1S/C16H17N7O2S/c24-15(20-16-22-21-14(26-16)10-3-1-4-10)18-8-6-12-19-13(23-25-12)11-5-2-7-17-9-11/h2,5,7,9-10H,1,3-4,6,8H2,(H2,18,20,22,24)
InChIKeyJUMBEFCUOIHYPM-UHFFFAOYSA-N
XLogP2.61
TPSA118.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-3-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]urea?
The IUPAC name of 1-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-3-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]urea (CID 31054438) is 1-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-3-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]urea.
What is the SMILES notation for 1-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-3-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]urea?
The canonical SMILES for 1-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-3-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]urea is O=C(NCCc1nc(-c2cccnc2)no1)Nc1nnc(C2CCC2)s1.
What is the InChIKey of 1-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-3-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]urea?
The InChIKey is JUMBEFCUOIHYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7O2S/c24-15(20-16-22-21-14(26-16)10-3-1-4-10)18-8-6-12-19-13(23-25-12)11-5-2-7-17-9-11/h2,5,7,9-10H,1,3-4,6,8H2,(H2,18,20,22,24).
What are the key properties of 1-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-3-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]urea?
1-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-3-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]urea has a molecular weight of 371.43 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-3-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]urea is sourced from PubChem (CID 31054438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).