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

C23H24ClN5O3S2 — CID 57401018

About N-[2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-5-(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]-5-(dimethylcarbamoyl)phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (PubChem CID 57401018) 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]-5-(dimethylcarbamoyl)phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-5-(dimethylcarbamoyl)phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
• PubChem CID: 57401018
• Molecular Formula: C23H24ClN5O3S2
• Molecular Weight: 518.06 g/mol
• Exact Mass: 517.10
• IUPAC Name: N-[2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-5-(dimethylcarbamoyl)phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
• SMILES: CN1CCc2nc(C(=O)Nc3cc(C(=O)N(C)C)ccc3CNC(=O)c3ccc(Cl)s3)sc2C1
• InChI: InChI=1S/C23H24ClN5O3S2/c1-28(2)23(32)13-4-5-14(11-25-20(30)17-6-7-19(24)33-17)16(10-13)26-21(31)22-27-15-8-9-29(3)12-18(15)34-22/h4-7,10H,8-9,11-12H2,1-3H3,(H,25,30)(H,26,31)
• InChIKey: HWLDZTMEGNMIAD-UHFFFAOYSA-N
• XLogP: 3.73
• TPSA: 94.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.06
LogP ≤ 5	3.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-5-(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]-5-(dimethylcarbamoyl)phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (CID 57401018) is N-[2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-5-(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]-5-(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]-5-(dimethylcarbamoyl)phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is CN1CCc2nc(C(=O)Nc3cc(C(=O)N(C)C)ccc3CNC(=O)c3ccc(Cl)s3)sc2C1.

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

The InChIKey is HWLDZTMEGNMIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN5O3S2/c1-28(2)23(32)13-4-5-14(11-25-20(30)17-6-7-19(24)33-17)16(10-13)26-21(31)22-27-15-8-9-29(3)12-18(15)34-22/h4-7,10H,8-9,11-12H2,1-3H3,(H,25,30)(H,26,31).

What are the key properties of N-[2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-5-(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]-5-(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]-5-(dimethylcarbamoyl)phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is sourced from PubChem (CID 57401018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).