N-[2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-6-(morpholine-4-carbonyl)phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide

C25H26ClN5O4S2 — CID 25051118

IUPACN-[2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-6-(morpholine-4-carbonyl)phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
SMILESCN1CCc2nc(C(=O)Nc3c(CNC(=O)c4ccc(Cl)s4)cccc3C(=O)N3CCOCC3)sc2C1
InChIInChI=1S/C25H26ClN5O4S2/c1-30-8-7-17-19(14-30)37-24(28-17)23(33)29-21-15(13-27-22(32)18-5-6-20(26)36-18)3-2-4-16(21)25(34)31-9-11-35-12-10-31/h2-6H,7-14H2,1H3,(H,27,32)(H,29,33)
InChIKeySODLCZXWMWIMQG-UHFFFAOYSA-N
MW560.10 g/mol
LogP3.50
Rot. Bonds6

About N-[2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-6-(morpholine-4-carbonyl)phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide

N-[2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-6-(morpholine-4-carbonyl)phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (PubChem CID 25051118) has the molecular formula C25H26ClN5O4S2 and a molecular weight of 560.10 g/mol. Its IUPAC name is N-[2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-6-(morpholine-4-carbonyl)phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-6-(morpholine-4-carbonyl)phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
PubChem CID25051118
Molecular FormulaC25H26ClN5O4S2
Molecular Weight560.10 g/mol
Exact Mass559.11
IUPAC NameN-[2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-6-(morpholine-4-carbonyl)phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
SMILESCN1CCc2nc(C(=O)Nc3c(CNC(=O)c4ccc(Cl)s4)cccc3C(=O)N3CCOCC3)sc2C1
InChIInChI=1S/C25H26ClN5O4S2/c1-30-8-7-17-19(14-30)37-24(28-17)23(33)29-21-15(13-27-22(32)18-5-6-20(26)36-18)3-2-4-16(21)25(34)31-9-11-35-12-10-31/h2-6H,7-14H2,1H3,(H,27,32)(H,29,33)
InChIKeySODLCZXWMWIMQG-UHFFFAOYSA-N
XLogP3.50
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500560.10
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-6-(morpholine-4-carbonyl)phenyl]-5-methyl-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-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-6-(morpholine-4-carbonyl)phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The IUPAC name of N-[2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-6-(morpholine-4-carbonyl)phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (CID 25051118) is N-[2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-6-(morpholine-4-carbonyl)phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-6-(morpholine-4-carbonyl)phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The canonical SMILES for N-[2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-6-(morpholine-4-carbonyl)phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is CN1CCc2nc(C(=O)Nc3c(CNC(=O)c4ccc(Cl)s4)cccc3C(=O)N3CCOCC3)sc2C1.
What is the InChIKey of N-[2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-6-(morpholine-4-carbonyl)phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The InChIKey is SODLCZXWMWIMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN5O4S2/c1-30-8-7-17-19(14-30)37-24(28-17)23(33)29-21-15(13-27-22(32)18-5-6-20(26)36-18)3-2-4-16(21)25(34)31-9-11-35-12-10-31/h2-6H,7-14H2,1H3,(H,27,32)(H,29,33).
What are the key properties of N-[2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-6-(morpholine-4-carbonyl)phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
N-[2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-6-(morpholine-4-carbonyl)phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide has a molecular weight of 560.10 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-6-(morpholine-4-carbonyl)phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is sourced from PubChem (CID 25051118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).