(1R,8S)-N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide

C17H26N4OS — CID 99808670

IUPAC(1R,8S)-N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide
SMILESCC(C)(C)c1nsc(NC(=O)N2CC3C[C@@H]4CC2C[C@H](C3)C4)n1
InChIInChI=1S/C17H26N4OS/c1-17(2,3)14-18-15(23-20-14)19-16(22)21-9-12-5-10-4-11(6-12)8-13(21)7-10/h10-13H,4-9H2,1-3H3,(H,18,19,20,22)/t10-,11+,12?,13?
InChIKeyLYDJKFHTUPOLPD-MPEURRAXSA-N
MW334.49 g/mol
LogP3.88
Rot. Bonds1

About (1R,8S)-N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide

(1R,8S)-N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide (PubChem CID 99808670) has the molecular formula C17H26N4OS and a molecular weight of 334.49 g/mol. Its IUPAC name is (1R,8S)-N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide.

Molecular Properties

Compound Name(1R,8S)-N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide
PubChem CID99808670
Molecular FormulaC17H26N4OS
Molecular Weight334.49 g/mol
Exact Mass334.18
IUPAC Name(1R,8S)-N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide
SMILESCC(C)(C)c1nsc(NC(=O)N2CC3C[C@@H]4CC2C[C@H](C3)C4)n1
InChIInChI=1S/C17H26N4OS/c1-17(2,3)14-18-15(23-20-14)19-16(22)21-9-12-5-10-4-11(6-12)8-13(21)7-10/h10-13H,4-9H2,1-3H3,(H,18,19,20,22)/t10-,11+,12?,13?
InChIKeyLYDJKFHTUPOLPD-MPEURRAXSA-N
XLogP3.88
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R,8S)-N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide?
The IUPAC name of (1R,8S)-N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide (CID 99808670) is (1R,8S)-N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide.
What is the SMILES notation for (1R,8S)-N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide?
The canonical SMILES for (1R,8S)-N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide is CC(C)(C)c1nsc(NC(=O)N2CC3C[C@@H]4CC2C[C@H](C3)C4)n1.
What is the InChIKey of (1R,8S)-N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide?
The InChIKey is LYDJKFHTUPOLPD-MPEURRAXSA-N. The full InChI is InChI=1S/C17H26N4OS/c1-17(2,3)14-18-15(23-20-14)19-16(22)21-9-12-5-10-4-11(6-12)8-13(21)7-10/h10-13H,4-9H2,1-3H3,(H,18,19,20,22)/t10-,11+,12?,13?.
What are the key properties of (1R,8S)-N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide?
(1R,8S)-N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide has a molecular weight of 334.49 g/mol, XLogP of 3.88, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,8S)-N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide is sourced from PubChem (CID 99808670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).