N-(1,3,4-thiadiazol-2-yl)-5,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene-3-carboxamide

C15H13N5OS — CID 90724795

IUPACN-(1,3,4-thiadiazol-2-yl)-5,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene-3-carboxamide
SMILESO=C(Nc1nncs1)c1c[nH]c2c1-c1ncccc1CCC2
InChIInChI=1S/C15H13N5OS/c21-14(19-15-20-18-8-22-15)10-7-17-11-5-1-3-9-4-2-6-16-13(9)12(10)11/h2,4,6-8,17H,1,3,5H2,(H,19,20,21)
InChIKeyPMNBWIOLYYPKDC-UHFFFAOYSA-N
MW311.37 g/mol
LogP2.67
Rot. Bonds2

About N-(1,3,4-thiadiazol-2-yl)-5,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene-3-carboxamide

N-(1,3,4-thiadiazol-2-yl)-5,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene-3-carboxamide (PubChem CID 90724795) has the molecular formula C15H13N5OS and a molecular weight of 311.37 g/mol. Its IUPAC name is N-(1,3,4-thiadiazol-2-yl)-5,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene-3-carboxamide.

Molecular Properties

Compound NameN-(1,3,4-thiadiazol-2-yl)-5,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene-3-carboxamide
PubChem CID90724795
Molecular FormulaC15H13N5OS
Molecular Weight311.37 g/mol
Exact Mass311.08
IUPAC NameN-(1,3,4-thiadiazol-2-yl)-5,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene-3-carboxamide
SMILESO=C(Nc1nncs1)c1c[nH]c2c1-c1ncccc1CCC2
InChIInChI=1S/C15H13N5OS/c21-14(19-15-20-18-8-22-15)10-7-17-11-5-1-3-9-4-2-6-16-13(9)12(10)11/h2,4,6-8,17H,1,3,5H2,(H,19,20,21)
InChIKeyPMNBWIOLYYPKDC-UHFFFAOYSA-N
XLogP2.67
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3,4-thiadiazol-2-yl)-5,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene-3-carboxamide?
The IUPAC name of N-(1,3,4-thiadiazol-2-yl)-5,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene-3-carboxamide (CID 90724795) is N-(1,3,4-thiadiazol-2-yl)-5,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene-3-carboxamide.
What is the SMILES notation for N-(1,3,4-thiadiazol-2-yl)-5,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene-3-carboxamide?
The canonical SMILES for N-(1,3,4-thiadiazol-2-yl)-5,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene-3-carboxamide is O=C(Nc1nncs1)c1c[nH]c2c1-c1ncccc1CCC2.
What is the InChIKey of N-(1,3,4-thiadiazol-2-yl)-5,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene-3-carboxamide?
The InChIKey is PMNBWIOLYYPKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5OS/c21-14(19-15-20-18-8-22-15)10-7-17-11-5-1-3-9-4-2-6-16-13(9)12(10)11/h2,4,6-8,17H,1,3,5H2,(H,19,20,21).
What are the key properties of N-(1,3,4-thiadiazol-2-yl)-5,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene-3-carboxamide?
N-(1,3,4-thiadiazol-2-yl)-5,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene-3-carboxamide has a molecular weight of 311.37 g/mol, XLogP of 2.67, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3,4-thiadiazol-2-yl)-5,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene-3-carboxamide is sourced from PubChem (CID 90724795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).