3-(4-methyl-1,3-thiazol-5-yl)-N-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]propanamide

C18H21F3N4OS — CID 92671563

About 3-(4-methyl-1,3-thiazol-5-yl)-N-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]propanamide

3-(4-methyl-1,3-thiazol-5-yl)-N-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]propanamide (PubChem CID 92671563) has the molecular formula C18H21F3N4OS and a molecular weight of 398.45 g/mol. Its IUPAC name is 3-(4-methyl-1,3-thiazol-5-yl)-N-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]propanamide.

Molecular Properties

• Compound Name: 3-(4-methyl-1,3-thiazol-5-yl)-N-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]propanamide
• PubChem CID: 92671563
• Molecular Formula: C18H21F3N4OS
• Molecular Weight: 398.45 g/mol
• Exact Mass: 398.14
• IUPAC Name: 3-(4-methyl-1,3-thiazol-5-yl)-N-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]propanamide
• SMILES: Cc1ncsc1CCC(=O)N[C@@H]1CCCN(c2ccc(C(F)(F)F)cn2)C1
• InChI: InChI=1S/C18H21F3N4OS/c1-12-15(27-11-23-12)5-7-17(26)24-14-3-2-8-25(10-14)16-6-4-13(9-22-16)18(19,20)21/h4,6,9,11,14H,2-3,5,7-8,10H2,1H3,(H,24,26)/t14-/m1/s1
• InChIKey: CKQKDYSLRXRMNA-CQSZACIVSA-N
• XLogP: 3.58
• TPSA: 58.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.45
LogP ≤ 5	3.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-1,3-thiazol-5-yl)-N-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]propanamide?

The IUPAC name of 3-(4-methyl-1,3-thiazol-5-yl)-N-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]propanamide (CID 92671563) is 3-(4-methyl-1,3-thiazol-5-yl)-N-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]propanamide.

What is the SMILES notation for 3-(4-methyl-1,3-thiazol-5-yl)-N-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]propanamide?

The canonical SMILES for 3-(4-methyl-1,3-thiazol-5-yl)-N-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]propanamide is Cc1ncsc1CCC(=O)N[C@@H]1CCCN(c2ccc(C(F)(F)F)cn2)C1.

What is the InChIKey of 3-(4-methyl-1,3-thiazol-5-yl)-N-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]propanamide?

The InChIKey is CKQKDYSLRXRMNA-CQSZACIVSA-N. The full InChI is InChI=1S/C18H21F3N4OS/c1-12-15(27-11-23-12)5-7-17(26)24-14-3-2-8-25(10-14)16-6-4-13(9-22-16)18(19,20)21/h4,6,9,11,14H,2-3,5,7-8,10H2,1H3,(H,24,26)/t14-/m1/s1.

What are the key properties of 3-(4-methyl-1,3-thiazol-5-yl)-N-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]propanamide?

3-(4-methyl-1,3-thiazol-5-yl)-N-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]propanamide has a molecular weight of 398.45 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-methyl-1,3-thiazol-5-yl)-N-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]propanamide is sourced from PubChem (CID 92671563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).