4-(6-fluoro-2,3-dihydroindol-1-yl)-N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide

C18H21FN4O2S — CID 71657340

About 4-(6-fluoro-2,3-dihydroindol-1-yl)-N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide

4-(6-fluoro-2,3-dihydroindol-1-yl)-N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide (PubChem CID 71657340) has the molecular formula C18H21FN4O2S and a molecular weight of 376.46 g/mol. Its IUPAC name is 4-(6-fluoro-2,3-dihydroindol-1-yl)-N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide.

Molecular Properties

• Compound Name: 4-(6-fluoro-2,3-dihydroindol-1-yl)-N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide
• PubChem CID: 71657340
• Molecular Formula: C18H21FN4O2S
• Molecular Weight: 376.46 g/mol
• Exact Mass: 376.14
• IUPAC Name: 4-(6-fluoro-2,3-dihydroindol-1-yl)-N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide
• SMILES: O=C(Nc1nc(CO)cs1)N1CCC(N2CCc3ccc(F)cc32)CC1
• InChI: InChI=1S/C18H21FN4O2S/c19-13-2-1-12-3-8-23(16(12)9-13)15-4-6-22(7-5-15)18(25)21-17-20-14(10-24)11-26-17/h1-2,9,11,15,24H,3-8,10H2,(H,20,21,25)
• InChIKey: NOMNZQYQDQXNPU-UHFFFAOYSA-N
• XLogP: 2.83
• TPSA: 68.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	376.46
LogP ≤ 5	2.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-(6-fluoro-2,3-dihydroindol-1-yl)-N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide?

The IUPAC name of 4-(6-fluoro-2,3-dihydroindol-1-yl)-N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide (CID 71657340) is 4-(6-fluoro-2,3-dihydroindol-1-yl)-N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide.

What is the SMILES notation for 4-(6-fluoro-2,3-dihydroindol-1-yl)-N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide?

The canonical SMILES for 4-(6-fluoro-2,3-dihydroindol-1-yl)-N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide is O=C(Nc1nc(CO)cs1)N1CCC(N2CCc3ccc(F)cc32)CC1.

What is the InChIKey of 4-(6-fluoro-2,3-dihydroindol-1-yl)-N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide?

The InChIKey is NOMNZQYQDQXNPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O2S/c19-13-2-1-12-3-8-23(16(12)9-13)15-4-6-22(7-5-15)18(25)21-17-20-14(10-24)11-26-17/h1-2,9,11,15,24H,3-8,10H2,(H,20,21,25).

What are the key properties of 4-(6-fluoro-2,3-dihydroindol-1-yl)-N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide?

4-(6-fluoro-2,3-dihydroindol-1-yl)-N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(6-fluoro-2,3-dihydroindol-1-yl)-N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 71657340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).