N-[2-oxo-5-(1,2-thiazol-4-yl)-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]methanesulfonamide

C18H13N3O3S2 — CID 15981179

IUPACN-[2-oxo-5-(1,2-thiazol-4-yl)-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc2ccc3ncc(-c4cnsc4)cc3c(=O)c2c1
InChIInChI=1S/C18H13N3O3S2/c1-26(23,24)21-14-4-2-11-3-5-17-16(18(22)15(11)7-14)6-12(8-19-17)13-9-20-25-10-13/h2-10,21H,1H3
InChIKeyVRPWUMAWKRKDCH-UHFFFAOYSA-N
MW383.45 g/mol
LogP3.24
Rot. Bonds3

About N-[2-oxo-5-(1,2-thiazol-4-yl)-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]methanesulfonamide

N-[2-oxo-5-(1,2-thiazol-4-yl)-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]methanesulfonamide (PubChem CID 15981179) has the molecular formula C18H13N3O3S2 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-[2-oxo-5-(1,2-thiazol-4-yl)-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-oxo-5-(1,2-thiazol-4-yl)-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]methanesulfonamide
PubChem CID15981179
Molecular FormulaC18H13N3O3S2
Molecular Weight383.45 g/mol
Exact Mass383.04
IUPAC NameN-[2-oxo-5-(1,2-thiazol-4-yl)-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc2ccc3ncc(-c4cnsc4)cc3c(=O)c2c1
InChIInChI=1S/C18H13N3O3S2/c1-26(23,24)21-14-4-2-11-3-5-17-16(18(22)15(11)7-14)6-12(8-19-17)13-9-20-25-10-13/h2-10,21H,1H3
InChIKeyVRPWUMAWKRKDCH-UHFFFAOYSA-N
XLogP3.24
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-oxo-5-(1,2-thiazol-4-yl)-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-5-(1,2-thiazol-4-yl)-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]methanesulfonamide?
The IUPAC name of N-[2-oxo-5-(1,2-thiazol-4-yl)-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]methanesulfonamide (CID 15981179) is N-[2-oxo-5-(1,2-thiazol-4-yl)-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]methanesulfonamide.
What is the SMILES notation for N-[2-oxo-5-(1,2-thiazol-4-yl)-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]methanesulfonamide?
The canonical SMILES for N-[2-oxo-5-(1,2-thiazol-4-yl)-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]methanesulfonamide is CS(=O)(=O)Nc1ccc2ccc3ncc(-c4cnsc4)cc3c(=O)c2c1.
What is the InChIKey of N-[2-oxo-5-(1,2-thiazol-4-yl)-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]methanesulfonamide?
The InChIKey is VRPWUMAWKRKDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O3S2/c1-26(23,24)21-14-4-2-11-3-5-17-16(18(22)15(11)7-14)6-12(8-19-17)13-9-20-25-10-13/h2-10,21H,1H3.
What are the key properties of N-[2-oxo-5-(1,2-thiazol-4-yl)-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]methanesulfonamide?
N-[2-oxo-5-(1,2-thiazol-4-yl)-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]methanesulfonamide has a molecular weight of 383.45 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-5-(1,2-thiazol-4-yl)-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]methanesulfonamide is sourced from PubChem (CID 15981179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).