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

C22H22ClN5O3S2 — CID 57394027

IUPACN-[2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-5-(methylcarbamoyl)phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
SMILESCNC(=O)c1ccc(CNC(=O)c2ccc(Cl)s2)c(NC(=O)c2nc3c(s2)CN(C)CC3)c1
InChIInChI=1S/C22H22ClN5O3S2/c1-24-19(29)12-3-4-13(10-25-20(30)16-5-6-18(23)32-16)15(9-12)26-21(31)22-27-14-7-8-28(2)11-17(14)33-22/h3-6,9H,7-8,10-11H2,1-2H3,(H,24,29)(H,25,30)(H,26,31)
InChIKeyXLIMIVBSWRQHMQ-UHFFFAOYSA-N
MW504.04 g/mol
LogP3.39
Rot. Bonds6

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

N-[2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-5-(methylcarbamoyl)phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (PubChem CID 57394027) has the molecular formula C22H22ClN5O3S2 and a molecular weight of 504.04 g/mol. Its IUPAC name is N-[2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-5-(methylcarbamoyl)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]-5-(methylcarbamoyl)phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
PubChem CID57394027
Molecular FormulaC22H22ClN5O3S2
Molecular Weight504.04 g/mol
Exact Mass503.09
IUPAC NameN-[2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-5-(methylcarbamoyl)phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
SMILESCNC(=O)c1ccc(CNC(=O)c2ccc(Cl)s2)c(NC(=O)c2nc3c(s2)CN(C)CC3)c1
InChIInChI=1S/C22H22ClN5O3S2/c1-24-19(29)12-3-4-13(10-25-20(30)16-5-6-18(23)32-16)15(9-12)26-21(31)22-27-14-7-8-28(2)11-17(14)33-22/h3-6,9H,7-8,10-11H2,1-2H3,(H,24,29)(H,25,30)(H,26,31)
InChIKeyXLIMIVBSWRQHMQ-UHFFFAOYSA-N
XLogP3.39
TPSA103.43 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.04
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-5-(methylcarbamoyl)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]-5-(methylcarbamoyl)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]-5-(methylcarbamoyl)phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (CID 57394027) is N-[2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-5-(methylcarbamoyl)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]-5-(methylcarbamoyl)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]-5-(methylcarbamoyl)phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is CNC(=O)c1ccc(CNC(=O)c2ccc(Cl)s2)c(NC(=O)c2nc3c(s2)CN(C)CC3)c1.
What is the InChIKey of N-[2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-5-(methylcarbamoyl)phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The InChIKey is XLIMIVBSWRQHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN5O3S2/c1-24-19(29)12-3-4-13(10-25-20(30)16-5-6-18(23)32-16)15(9-12)26-21(31)22-27-14-7-8-28(2)11-17(14)33-22/h3-6,9H,7-8,10-11H2,1-2H3,(H,24,29)(H,25,30)(H,26,31).
What are the key properties of N-[2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-5-(methylcarbamoyl)phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
N-[2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-5-(methylcarbamoyl)phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide has a molecular weight of 504.04 g/mol, XLogP of 3.39, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-5-(methylcarbamoyl)phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is sourced from PubChem (CID 57394027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).