N-(thiadiazol-5-yl)-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide

C11H16N4OS — CID 86807487

IUPACN-(thiadiazol-5-yl)-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide
SMILESO=C(Nc1cnns1)N1CCC2CCCCC21
InChIInChI=1S/C11H16N4OS/c16-11(13-10-7-12-14-17-10)15-6-5-8-3-1-2-4-9(8)15/h7-9H,1-6H2,(H,13,16)
InChIKeyOWRXMSYJDUQFPC-UHFFFAOYSA-N
MW252.34 g/mol
LogP2.33
Rot. Bonds1

About N-(thiadiazol-5-yl)-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide

N-(thiadiazol-5-yl)-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide (PubChem CID 86807487) has the molecular formula C11H16N4OS and a molecular weight of 252.34 g/mol. Its IUPAC name is N-(thiadiazol-5-yl)-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide.

Molecular Properties

Compound NameN-(thiadiazol-5-yl)-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide
PubChem CID86807487
Molecular FormulaC11H16N4OS
Molecular Weight252.34 g/mol
Exact Mass252.10
IUPAC NameN-(thiadiazol-5-yl)-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide
SMILESO=C(Nc1cnns1)N1CCC2CCCCC21
InChIInChI=1S/C11H16N4OS/c16-11(13-10-7-12-14-17-10)15-6-5-8-3-1-2-4-9(8)15/h7-9H,1-6H2,(H,13,16)
InChIKeyOWRXMSYJDUQFPC-UHFFFAOYSA-N
XLogP2.33
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(thiadiazol-5-yl)-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide?
The IUPAC name of N-(thiadiazol-5-yl)-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide (CID 86807487) is N-(thiadiazol-5-yl)-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide.
What is the SMILES notation for N-(thiadiazol-5-yl)-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide?
The canonical SMILES for N-(thiadiazol-5-yl)-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide is O=C(Nc1cnns1)N1CCC2CCCCC21.
What is the InChIKey of N-(thiadiazol-5-yl)-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide?
The InChIKey is OWRXMSYJDUQFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4OS/c16-11(13-10-7-12-14-17-10)15-6-5-8-3-1-2-4-9(8)15/h7-9H,1-6H2,(H,13,16).
What are the key properties of N-(thiadiazol-5-yl)-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide?
N-(thiadiazol-5-yl)-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide has a molecular weight of 252.34 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiadiazol-5-yl)-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide is sourced from PubChem (CID 86807487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).