N-[5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]azetidine-3-carboxamide

C19H19N5O2S — CID 154637669

About N-[5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]azetidine-3-carboxamide

N-[5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]azetidine-3-carboxamide (PubChem CID 154637669) has the molecular formula C19H19N5O2S and a molecular weight of 381.46 g/mol. Its IUPAC name is N-[5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]azetidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]azetidine-3-carboxamide
• PubChem CID: 154637669
• Molecular Formula: C19H19N5O2S
• Molecular Weight: 381.46 g/mol
• Exact Mass: 381.13
• IUPAC Name: N-[5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]azetidine-3-carboxamide
• SMILES: O=C(Nc1nc2c(s1)CN(C(=O)c1cc3ccccc3[nH]1)CC2)C1CNC1
• InChI: InChI=1S/C19H19N5O2S/c25-17(12-8-20-9-12)23-19-22-14-5-6-24(10-16(14)27-19)18(26)15-7-11-3-1-2-4-13(11)21-15/h1-4,7,12,20-21H,5-6,8-10H2,(H,22,23,25)
• InChIKey: YKBDSDOJODDHGH-UHFFFAOYSA-N
• XLogP: 1.98
• TPSA: 90.12 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.46
LogP ≤ 5	1.98
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]azetidine-3-carboxamide?

The IUPAC name of N-[5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]azetidine-3-carboxamide (CID 154637669) is N-[5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]azetidine-3-carboxamide.

What is the SMILES notation for N-[5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]azetidine-3-carboxamide?

The canonical SMILES for N-[5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]azetidine-3-carboxamide is O=C(Nc1nc2c(s1)CN(C(=O)c1cc3ccccc3[nH]1)CC2)C1CNC1.

What is the InChIKey of N-[5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]azetidine-3-carboxamide?

The InChIKey is YKBDSDOJODDHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2S/c25-17(12-8-20-9-12)23-19-22-14-5-6-24(10-16(14)27-19)18(26)15-7-11-3-1-2-4-13(11)21-15/h1-4,7,12,20-21H,5-6,8-10H2,(H,22,23,25).

What are the key properties of N-[5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]azetidine-3-carboxamide?

N-[5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]azetidine-3-carboxamide has a molecular weight of 381.46 g/mol, XLogP of 1.98, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]azetidine-3-carboxamide is sourced from PubChem (CID 154637669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).