N,N-bis(2-methylpropyl)-2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide

C19H23N3O2S — CID 2059270

IUPACN,N-bis(2-methylpropyl)-2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
SMILESCC(C)CN(CC(C)C)C(=O)c1cc2c(=O)n3ccccc3nc2s1
InChIInChI=1S/C19H23N3O2S/c1-12(2)10-21(11-13(3)4)19(24)15-9-14-17(25-15)20-16-7-5-6-8-22(16)18(14)23/h5-9,12-13H,10-11H2,1-4H3
InChIKeyKIBFTJBXMYHBGA-UHFFFAOYSA-N
MW357.48 g/mol
LogP3.66
Rot. Bonds5

About N,N-bis(2-methylpropyl)-2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide

N,N-bis(2-methylpropyl)-2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide (PubChem CID 2059270) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is N,N-bis(2-methylpropyl)-2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide.

Molecular Properties

Compound NameN,N-bis(2-methylpropyl)-2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
PubChem CID2059270
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC NameN,N-bis(2-methylpropyl)-2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
SMILESCC(C)CN(CC(C)C)C(=O)c1cc2c(=O)n3ccccc3nc2s1
InChIInChI=1S/C19H23N3O2S/c1-12(2)10-21(11-13(3)4)19(24)15-9-14-17(25-15)20-16-7-5-6-8-22(16)18(14)23/h5-9,12-13H,10-11H2,1-4H3
InChIKeyKIBFTJBXMYHBGA-UHFFFAOYSA-N
XLogP3.66
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methylpropyl)-2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide?
The IUPAC name of N,N-bis(2-methylpropyl)-2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide (CID 2059270) is N,N-bis(2-methylpropyl)-2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide.
What is the SMILES notation for N,N-bis(2-methylpropyl)-2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide?
The canonical SMILES for N,N-bis(2-methylpropyl)-2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide is CC(C)CN(CC(C)C)C(=O)c1cc2c(=O)n3ccccc3nc2s1.
What is the InChIKey of N,N-bis(2-methylpropyl)-2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide?
The InChIKey is KIBFTJBXMYHBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-12(2)10-21(11-13(3)4)19(24)15-9-14-17(25-15)20-16-7-5-6-8-22(16)18(14)23/h5-9,12-13H,10-11H2,1-4H3.
What are the key properties of N,N-bis(2-methylpropyl)-2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide?
N,N-bis(2-methylpropyl)-2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide has a molecular weight of 357.48 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methylpropyl)-2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide is sourced from PubChem (CID 2059270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).