N-(2-amino-5-methoxyphenyl)-5-[1-(4-methoxyanilino)-2-nitroethenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide

C23H24N6O5S — CID 66864018

IUPACN-(2-amino-5-methoxyphenyl)-5-[1-(4-methoxyanilino)-2-nitroethenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
SMILESCOc1ccc(NC(=C[N+](=O)[O-])N2CCc3nc(C(=O)Nc4cc(OC)ccc4N)sc3C2)cc1
InChIInChI=1S/C23H24N6O5S/c1-33-15-5-3-14(4-6-15)25-21(13-29(31)32)28-10-9-18-20(12-28)35-23(27-18)22(30)26-19-11-16(34-2)7-8-17(19)24/h3-8,11,13,25H,9-10,12,24H2,1-2H3,(H,26,30)
InChIKeyVBZARJSCNGSSTL-UHFFFAOYSA-N
MW496.55 g/mol
LogP3.54
Rot. Bonds8

About N-(2-amino-5-methoxyphenyl)-5-[1-(4-methoxyanilino)-2-nitroethenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide

N-(2-amino-5-methoxyphenyl)-5-[1-(4-methoxyanilino)-2-nitroethenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (PubChem CID 66864018) has the molecular formula C23H24N6O5S and a molecular weight of 496.55 g/mol. Its IUPAC name is N-(2-amino-5-methoxyphenyl)-5-[1-(4-methoxyanilino)-2-nitroethenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-5-methoxyphenyl)-5-[1-(4-methoxyanilino)-2-nitroethenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
PubChem CID66864018
Molecular FormulaC23H24N6O5S
Molecular Weight496.55 g/mol
Exact Mass496.15
IUPAC NameN-(2-amino-5-methoxyphenyl)-5-[1-(4-methoxyanilino)-2-nitroethenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
SMILESCOc1ccc(NC(=C[N+](=O)[O-])N2CCc3nc(C(=O)Nc4cc(OC)ccc4N)sc3C2)cc1
InChIInChI=1S/C23H24N6O5S/c1-33-15-5-3-14(4-6-15)25-21(13-29(31)32)28-10-9-18-20(12-28)35-23(27-18)22(30)26-19-11-16(34-2)7-8-17(19)24/h3-8,11,13,25H,9-10,12,24H2,1-2H3,(H,26,30)
InChIKeyVBZARJSCNGSSTL-UHFFFAOYSA-N
XLogP3.54
TPSA144.88 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.55
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze N-(2-amino-5-methoxyphenyl)-5-[1-(4-methoxyanilino)-2-nitroethenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide 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-amino-5-methoxyphenyl)-5-[1-(4-methoxyanilino)-2-nitroethenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The IUPAC name of N-(2-amino-5-methoxyphenyl)-5-[1-(4-methoxyanilino)-2-nitroethenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (CID 66864018) is N-(2-amino-5-methoxyphenyl)-5-[1-(4-methoxyanilino)-2-nitroethenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide.
What is the SMILES notation for N-(2-amino-5-methoxyphenyl)-5-[1-(4-methoxyanilino)-2-nitroethenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The canonical SMILES for N-(2-amino-5-methoxyphenyl)-5-[1-(4-methoxyanilino)-2-nitroethenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is COc1ccc(NC(=C[N+](=O)[O-])N2CCc3nc(C(=O)Nc4cc(OC)ccc4N)sc3C2)cc1.
What is the InChIKey of N-(2-amino-5-methoxyphenyl)-5-[1-(4-methoxyanilino)-2-nitroethenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The InChIKey is VBZARJSCNGSSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O5S/c1-33-15-5-3-14(4-6-15)25-21(13-29(31)32)28-10-9-18-20(12-28)35-23(27-18)22(30)26-19-11-16(34-2)7-8-17(19)24/h3-8,11,13,25H,9-10,12,24H2,1-2H3,(H,26,30).
What are the key properties of N-(2-amino-5-methoxyphenyl)-5-[1-(4-methoxyanilino)-2-nitroethenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
N-(2-amino-5-methoxyphenyl)-5-[1-(4-methoxyanilino)-2-nitroethenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide has a molecular weight of 496.55 g/mol, XLogP of 3.54, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-methoxyphenyl)-5-[1-(4-methoxyanilino)-2-nitroethenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is sourced from PubChem (CID 66864018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).