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

C23H24ClN5O3S2 — CID 25050946

IUPACN-[2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-6-(dimethylcarbamoyl)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)N(C)C)sc2C1
InChIInChI=1S/C23H24ClN5O3S2/c1-28(2)23(32)14-6-4-5-13(11-25-20(30)16-7-8-18(24)33-16)19(14)27-21(31)22-26-15-9-10-29(3)12-17(15)34-22/h4-8H,9-12H2,1-3H3,(H,25,30)(H,27,31)
InChIKeyGRRCOGFTBIVTID-UHFFFAOYSA-N
MW518.06 g/mol
LogP3.73
Rot. Bonds6

About N-[2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-6-(dimethylcarbamoyl)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-(dimethylcarbamoyl)phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (PubChem CID 25050946) has the molecular formula C23H24ClN5O3S2 and a molecular weight of 518.06 g/mol. Its IUPAC name is N-[2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-6-(dimethylcarbamoyl)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-(dimethylcarbamoyl)phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
PubChem CID25050946
Molecular FormulaC23H24ClN5O3S2
Molecular Weight518.06 g/mol
Exact Mass517.10
IUPAC NameN-[2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-6-(dimethylcarbamoyl)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)N(C)C)sc2C1
InChIInChI=1S/C23H24ClN5O3S2/c1-28(2)23(32)14-6-4-5-13(11-25-20(30)16-7-8-18(24)33-16)19(14)27-21(31)22-26-15-9-10-29(3)12-17(15)34-22/h4-8H,9-12H2,1-3H3,(H,25,30)(H,27,31)
InChIKeyGRRCOGFTBIVTID-UHFFFAOYSA-N
XLogP3.73
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.06
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-6-(dimethylcarbamoyl)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]-6-(dimethylcarbamoyl)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-(dimethylcarbamoyl)phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (CID 25050946) is N-[2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-6-(dimethylcarbamoyl)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-(dimethylcarbamoyl)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-(dimethylcarbamoyl)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)N(C)C)sc2C1.
What is the InChIKey of N-[2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-6-(dimethylcarbamoyl)phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The InChIKey is GRRCOGFTBIVTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN5O3S2/c1-28(2)23(32)14-6-4-5-13(11-25-20(30)16-7-8-18(24)33-16)19(14)27-21(31)22-26-15-9-10-29(3)12-17(15)34-22/h4-8H,9-12H2,1-3H3,(H,25,30)(H,27,31).
What are the key properties of N-[2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-6-(dimethylcarbamoyl)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-(dimethylcarbamoyl)phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide has a molecular weight of 518.06 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 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]-6-(dimethylcarbamoyl)phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is sourced from PubChem (CID 25050946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).