5-chloro-1H-indole-2-carboxamide;5-methyl-N-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide

C21H24ClN5O3S — CID 142198091

About 5-chloro-1H-indole-2-carboxamide;5-methyl-N-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide

5-chloro-1H-indole-2-carboxamide;5-methyl-N-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (PubChem CID 142198091) has the molecular formula C21H24ClN5O3S and a molecular weight of 461.98 g/mol. Its IUPAC name is 5-chloro-1H-indole-2-carboxamide;5-methyl-N-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-1H-indole-2-carboxamide;5-methyl-N-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
• PubChem CID: 142198091
• Molecular Formula: C21H24ClN5O3S
• Molecular Weight: 461.98 g/mol
• Exact Mass: 461.13
• IUPAC Name: 5-chloro-1H-indole-2-carboxamide;5-methyl-N-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
• SMILES: CN1CCc2nc(C(=O)NC3CCOC3)sc2C1.NC(=O)c1cc2cc(Cl)ccc2[nH]1
• InChI: InChI=1S/C12H17N3O2S.C9H7ClN2O/c1-15-4-2-9-10(6-15)18-12(14-9)11(16)13-8-3-5-17-7-8;10-6-1-2-7-5(3-6)4-8(12-7)9(11)13/h8H,2-7H2,1H3,(H,13,16);1-4,12H,(H2,11,13)
• InChIKey: HFHQYJUTAZJWEY-UHFFFAOYSA-N
• XLogP: 2.57
• TPSA: 113.34 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	461.98
LogP ≤ 5	2.57
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5-chloro-1H-indole-2-carboxamide;5-methyl-N-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (CID 142198091) is 5-chloro-1H-indole-2-carboxamide;5-methyl-N-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide.

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

The canonical SMILES for 5-chloro-1H-indole-2-carboxamide;5-methyl-N-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is CN1CCc2nc(C(=O)NC3CCOC3)sc2C1.NC(=O)c1cc2cc(Cl)ccc2[nH]1.

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

The InChIKey is HFHQYJUTAZJWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S.C9H7ClN2O/c1-15-4-2-9-10(6-15)18-12(14-9)11(16)13-8-3-5-17-7-8;10-6-1-2-7-5(3-6)4-8(12-7)9(11)13/h8H,2-7H2,1H3,(H,13,16);1-4,12H,(H2,11,13).

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

5-chloro-1H-indole-2-carboxamide;5-methyl-N-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide has a molecular weight of 461.98 g/mol, XLogP of 2.57, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-1H-indole-2-carboxamide;5-methyl-N-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is sourced from PubChem (CID 142198091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).