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

C26H29ClN6O3S2 — CID 25051119

About N-[2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-6-(4-methylpiperazine-1-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-(4-methylpiperazine-1-carbonyl)phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (PubChem CID 25051119) has the molecular formula C26H29ClN6O3S2 and a molecular weight of 573.14 g/mol. Its IUPAC name is N-[2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-6-(4-methylpiperazine-1-carbonyl)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]-6-(4-methylpiperazine-1-carbonyl)phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
• PubChem CID: 25051119
• Molecular Formula: C26H29ClN6O3S2
• Molecular Weight: 573.14 g/mol
• Exact Mass: 572.14
• IUPAC Name: N-[2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-6-(4-methylpiperazine-1-carbonyl)phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
• SMILES: CN1CCN(C(=O)c2cccc(CNC(=O)c3ccc(Cl)s3)c2NC(=O)c2nc3c(s2)CN(C)CC3)CC1
• InChI: InChI=1S/C26H29ClN6O3S2/c1-31-10-12-33(13-11-31)26(36)17-5-3-4-16(14-28-23(34)19-6-7-21(27)37-19)22(17)30-24(35)25-29-18-8-9-32(2)15-20(18)38-25/h3-7H,8-15H2,1-2H3,(H,28,34)(H,30,35)
• InChIKey: QQSNGGHPDKWFHL-UHFFFAOYSA-N
• XLogP: 3.42
• TPSA: 97.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	573.14
LogP ≤ 5	3.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-6-(4-methylpiperazine-1-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-(4-methylpiperazine-1-carbonyl)phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (CID 25051119) is N-[2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-6-(4-methylpiperazine-1-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-(4-methylpiperazine-1-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-(4-methylpiperazine-1-carbonyl)phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is CN1CCN(C(=O)c2cccc(CNC(=O)c3ccc(Cl)s3)c2NC(=O)c2nc3c(s2)CN(C)CC3)CC1.

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

The InChIKey is QQSNGGHPDKWFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClN6O3S2/c1-31-10-12-33(13-11-31)26(36)17-5-3-4-16(14-28-23(34)19-6-7-21(27)37-19)22(17)30-24(35)25-29-18-8-9-32(2)15-20(18)38-25/h3-7H,8-15H2,1-2H3,(H,28,34)(H,30,35).

What are the key properties of N-[2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-6-(4-methylpiperazine-1-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-(4-methylpiperazine-1-carbonyl)phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide has a molecular weight of 573.14 g/mol, XLogP of 3.42, 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-(4-methylpiperazine-1-carbonyl)phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is sourced from PubChem (CID 25051119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).