N-(azetidin-3-yl)-4-tert-butyl-N-propylthiadiazole-5-carboxamide

C13H22N4OS — CID 66183103

IUPACN-(azetidin-3-yl)-4-tert-butyl-N-propylthiadiazole-5-carboxamide
SMILESCCCN(C(=O)c1snnc1C(C)(C)C)C1CNC1
InChIInChI=1S/C13H22N4OS/c1-5-6-17(9-7-14-8-9)12(18)10-11(13(2,3)4)15-16-19-10/h9,14H,5-8H2,1-4H3
InChIKeyNBOOTRSQPCDICA-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.66
Rot. Bonds4

About N-(azetidin-3-yl)-4-tert-butyl-N-propylthiadiazole-5-carboxamide

N-(azetidin-3-yl)-4-tert-butyl-N-propylthiadiazole-5-carboxamide (PubChem CID 66183103) has the molecular formula C13H22N4OS and a molecular weight of 282.41 g/mol. Its IUPAC name is N-(azetidin-3-yl)-4-tert-butyl-N-propylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-4-tert-butyl-N-propylthiadiazole-5-carboxamide
PubChem CID66183103
Molecular FormulaC13H22N4OS
Molecular Weight282.41 g/mol
Exact Mass282.15
IUPAC NameN-(azetidin-3-yl)-4-tert-butyl-N-propylthiadiazole-5-carboxamide
SMILESCCCN(C(=O)c1snnc1C(C)(C)C)C1CNC1
InChIInChI=1S/C13H22N4OS/c1-5-6-17(9-7-14-8-9)12(18)10-11(13(2,3)4)15-16-19-10/h9,14H,5-8H2,1-4H3
InChIKeyNBOOTRSQPCDICA-UHFFFAOYSA-N
XLogP1.66
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-4-tert-butyl-N-propylthiadiazole-5-carboxamide?
The IUPAC name of N-(azetidin-3-yl)-4-tert-butyl-N-propylthiadiazole-5-carboxamide (CID 66183103) is N-(azetidin-3-yl)-4-tert-butyl-N-propylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(azetidin-3-yl)-4-tert-butyl-N-propylthiadiazole-5-carboxamide?
The canonical SMILES for N-(azetidin-3-yl)-4-tert-butyl-N-propylthiadiazole-5-carboxamide is CCCN(C(=O)c1snnc1C(C)(C)C)C1CNC1.
What is the InChIKey of N-(azetidin-3-yl)-4-tert-butyl-N-propylthiadiazole-5-carboxamide?
The InChIKey is NBOOTRSQPCDICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4OS/c1-5-6-17(9-7-14-8-9)12(18)10-11(13(2,3)4)15-16-19-10/h9,14H,5-8H2,1-4H3.
What are the key properties of N-(azetidin-3-yl)-4-tert-butyl-N-propylthiadiazole-5-carboxamide?
N-(azetidin-3-yl)-4-tert-butyl-N-propylthiadiazole-5-carboxamide has a molecular weight of 282.41 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-4-tert-butyl-N-propylthiadiazole-5-carboxamide is sourced from PubChem (CID 66183103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).