N-[3-[4-amino-2-[(E)-methoxyiminomethyl]-[1,3]thiazolo[4,5-c]quinolin-7-yl]phenyl]methanesulfonamide

C19H17N5O3S2 — CID 59497170

IUPACN-[3-[4-amino-2-[(E)-methoxyiminomethyl]-[1,3]thiazolo[4,5-c]quinolin-7-yl]phenyl]methanesulfonamide
SMILESCO/N=C/c1nc2c(N)nc3cc(-c4cccc(NS(C)(=O)=O)c4)ccc3c2s1
InChIInChI=1S/C19H17N5O3S2/c1-27-21-10-16-23-17-18(28-16)14-7-6-12(9-15(14)22-19(17)20)11-4-3-5-13(8-11)24-29(2,25)26/h3-10,24H,1-2H3,(H2,20,22)/b21-10+
InChIKeyKKPGAKKORCKACA-UFFVCSGVSA-N
MW427.51 g/mol
LogP3.45
Rot. Bonds5

About N-[3-[4-amino-2-[(E)-methoxyiminomethyl]-[1,3]thiazolo[4,5-c]quinolin-7-yl]phenyl]methanesulfonamide

N-[3-[4-amino-2-[(E)-methoxyiminomethyl]-[1,3]thiazolo[4,5-c]quinolin-7-yl]phenyl]methanesulfonamide (PubChem CID 59497170) has the molecular formula C19H17N5O3S2 and a molecular weight of 427.51 g/mol. Its IUPAC name is N-[3-[4-amino-2-[(E)-methoxyiminomethyl]-[1,3]thiazolo[4,5-c]quinolin-7-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[4-amino-2-[(E)-methoxyiminomethyl]-[1,3]thiazolo[4,5-c]quinolin-7-yl]phenyl]methanesulfonamide
PubChem CID59497170
Molecular FormulaC19H17N5O3S2
Molecular Weight427.51 g/mol
Exact Mass427.08
IUPAC NameN-[3-[4-amino-2-[(E)-methoxyiminomethyl]-[1,3]thiazolo[4,5-c]quinolin-7-yl]phenyl]methanesulfonamide
SMILESCO/N=C/c1nc2c(N)nc3cc(-c4cccc(NS(C)(=O)=O)c4)ccc3c2s1
InChIInChI=1S/C19H17N5O3S2/c1-27-21-10-16-23-17-18(28-16)14-7-6-12(9-15(14)22-19(17)20)11-4-3-5-13(8-11)24-29(2,25)26/h3-10,24H,1-2H3,(H2,20,22)/b21-10+
InChIKeyKKPGAKKORCKACA-UFFVCSGVSA-N
XLogP3.45
TPSA119.56 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[3-[4-amino-2-[(E)-methoxyiminomethyl]-[1,3]thiazolo[4,5-c]quinolin-7-yl]phenyl]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-[3-[4-amino-2-[(E)-methoxyiminomethyl]-[1,3]thiazolo[4,5-c]quinolin-7-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[4-amino-2-[(E)-methoxyiminomethyl]-[1,3]thiazolo[4,5-c]quinolin-7-yl]phenyl]methanesulfonamide (CID 59497170) is N-[3-[4-amino-2-[(E)-methoxyiminomethyl]-[1,3]thiazolo[4,5-c]quinolin-7-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[4-amino-2-[(E)-methoxyiminomethyl]-[1,3]thiazolo[4,5-c]quinolin-7-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[4-amino-2-[(E)-methoxyiminomethyl]-[1,3]thiazolo[4,5-c]quinolin-7-yl]phenyl]methanesulfonamide is CO/N=C/c1nc2c(N)nc3cc(-c4cccc(NS(C)(=O)=O)c4)ccc3c2s1.
What is the InChIKey of N-[3-[4-amino-2-[(E)-methoxyiminomethyl]-[1,3]thiazolo[4,5-c]quinolin-7-yl]phenyl]methanesulfonamide?
The InChIKey is KKPGAKKORCKACA-UFFVCSGVSA-N. The full InChI is InChI=1S/C19H17N5O3S2/c1-27-21-10-16-23-17-18(28-16)14-7-6-12(9-15(14)22-19(17)20)11-4-3-5-13(8-11)24-29(2,25)26/h3-10,24H,1-2H3,(H2,20,22)/b21-10+.
What are the key properties of N-[3-[4-amino-2-[(E)-methoxyiminomethyl]-[1,3]thiazolo[4,5-c]quinolin-7-yl]phenyl]methanesulfonamide?
N-[3-[4-amino-2-[(E)-methoxyiminomethyl]-[1,3]thiazolo[4,5-c]quinolin-7-yl]phenyl]methanesulfonamide has a molecular weight of 427.51 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-amino-2-[(E)-methoxyiminomethyl]-[1,3]thiazolo[4,5-c]quinolin-7-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 59497170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).