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

C22H22ClN5O5S3 — CID 57397571

IUPACN-[2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-5-(methylsulfonylcarbamoyl)phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
SMILESCN1CCc2nc(C(=O)Nc3cc(C(=O)NS(C)(=O)=O)ccc3CNC(=O)c3ccc(Cl)s3)sc2C1
InChIInChI=1S/C22H22ClN5O5S3/c1-28-8-7-14-17(11-28)35-22(26-14)21(31)25-15-9-12(19(29)27-36(2,32)33)3-4-13(15)10-24-20(30)16-5-6-18(23)34-16/h3-6,9H,7-8,10-11H2,1-2H3,(H,24,30)(H,25,31)(H,27,29)
InChIKeyDJIOMPOCKHODJH-UHFFFAOYSA-N
MW568.10 g/mol
LogP2.72
Rot. Bonds7

About N-[2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-5-(methylsulfonylcarbamoyl)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-(methylsulfonylcarbamoyl)phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (PubChem CID 57397571) has the molecular formula C22H22ClN5O5S3 and a molecular weight of 568.10 g/mol. Its IUPAC name is N-[2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-5-(methylsulfonylcarbamoyl)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-(methylsulfonylcarbamoyl)phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
PubChem CID57397571
Molecular FormulaC22H22ClN5O5S3
Molecular Weight568.10 g/mol
Exact Mass567.05
IUPAC NameN-[2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-5-(methylsulfonylcarbamoyl)phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
SMILESCN1CCc2nc(C(=O)Nc3cc(C(=O)NS(C)(=O)=O)ccc3CNC(=O)c3ccc(Cl)s3)sc2C1
InChIInChI=1S/C22H22ClN5O5S3/c1-28-8-7-14-17(11-28)35-22(26-14)21(31)25-15-9-12(19(29)27-36(2,32)33)3-4-13(15)10-24-20(30)16-5-6-18(23)34-16/h3-6,9H,7-8,10-11H2,1-2H3,(H,24,30)(H,25,31)(H,27,29)
InChIKeyDJIOMPOCKHODJH-UHFFFAOYSA-N
XLogP2.72
TPSA137.57 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500568.10
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-5-(methylsulfonylcarbamoyl)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-(methylsulfonylcarbamoyl)phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (CID 57397571) is N-[2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-5-(methylsulfonylcarbamoyl)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-(methylsulfonylcarbamoyl)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-(methylsulfonylcarbamoyl)phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is CN1CCc2nc(C(=O)Nc3cc(C(=O)NS(C)(=O)=O)ccc3CNC(=O)c3ccc(Cl)s3)sc2C1.
What is the InChIKey of N-[2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-5-(methylsulfonylcarbamoyl)phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The InChIKey is DJIOMPOCKHODJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN5O5S3/c1-28-8-7-14-17(11-28)35-22(26-14)21(31)25-15-9-12(19(29)27-36(2,32)33)3-4-13(15)10-24-20(30)16-5-6-18(23)34-16/h3-6,9H,7-8,10-11H2,1-2H3,(H,24,30)(H,25,31)(H,27,29).
What are the key properties of N-[2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-5-(methylsulfonylcarbamoyl)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-(methylsulfonylcarbamoyl)phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide has a molecular weight of 568.10 g/mol, XLogP of 2.72, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-5-(methylsulfonylcarbamoyl)phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is sourced from PubChem (CID 57397571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).