N-[(1S,2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]cycloheptyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride

C24H29Cl2N5O2S — CID 68907725

About N-[(1S,2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]cycloheptyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride

N-[(1S,2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]cycloheptyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride (PubChem CID 68907725) has the molecular formula C24H29Cl2N5O2S and a molecular weight of 522.50 g/mol. Its IUPAC name is N-[(1S,2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]cycloheptyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: N-[(1S,2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]cycloheptyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride
• PubChem CID: 68907725
• Molecular Formula: C24H29Cl2N5O2S
• Molecular Weight: 522.50 g/mol
• Exact Mass: 521.14
• IUPAC Name: N-[(1S,2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]cycloheptyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride
• SMILES: CN1CCc2nc(C(=O)N[C@H]3CCCCC[C@@H]3NC(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1.Cl
• InChI: InChI=1S/C24H28ClN5O2S.ClH/c1-30-10-9-19-21(13-30)33-24(29-19)23(32)28-18-6-4-2-3-5-17(18)27-22(31)20-12-14-11-15(25)7-8-16(14)26-20;/h7-8,11-12,17-18,26H,2-6,9-10,13H2,1H3,(H,27,31)(H,28,32);1H/t17-,18-;/m0./s1
• InChIKey: CUDFSOOVPUJZCS-APTPAJQOSA-N
• XLogP: 4.55
• TPSA: 90.12 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	522.50
LogP ≤ 5	4.55
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]cycloheptyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride?

The IUPAC name of N-[(1S,2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]cycloheptyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride (CID 68907725) is N-[(1S,2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]cycloheptyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride.

What is the SMILES notation for N-[(1S,2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]cycloheptyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride?

The canonical SMILES for N-[(1S,2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]cycloheptyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride is CN1CCc2nc(C(=O)N[C@H]3CCCCC[C@@H]3NC(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1.Cl.

What is the InChIKey of N-[(1S,2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]cycloheptyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride?

The InChIKey is CUDFSOOVPUJZCS-APTPAJQOSA-N. The full InChI is InChI=1S/C24H28ClN5O2S.ClH/c1-30-10-9-19-21(13-30)33-24(29-19)23(32)28-18-6-4-2-3-5-17(18)27-22(31)20-12-14-11-15(25)7-8-16(14)26-20;/h7-8,11-12,17-18,26H,2-6,9-10,13H2,1H3,(H,27,31)(H,28,32);1H/t17-,18-;/m0./s1.

What are the key properties of N-[(1S,2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]cycloheptyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride?

N-[(1S,2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]cycloheptyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride has a molecular weight of 522.50 g/mol, XLogP of 4.55, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S,2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]cycloheptyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride is sourced from PubChem (CID 68907725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).