N-[(2S)-butan-2-yl]-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]cyclopentanecarboxamide

C22H30N2O2S — CID 93165882

About N-[(2S)-butan-2-yl]-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]cyclopentanecarboxamide

N-[(2S)-butan-2-yl]-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]cyclopentanecarboxamide (PubChem CID 93165882) has the molecular formula C22H30N2O2S and a molecular weight of 386.56 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]cyclopentanecarboxamide.

Molecular Properties

• Compound Name: N-[(2S)-butan-2-yl]-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]cyclopentanecarboxamide
• PubChem CID: 93165882
• Molecular Formula: C22H30N2O2S
• Molecular Weight: 386.56 g/mol
• Exact Mass: 386.20
• IUPAC Name: N-[(2S)-butan-2-yl]-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]cyclopentanecarboxamide
• SMILES: CC[C@H](C)N(Cc1csc(COc2ccc(C)cc2)n1)C(=O)C1CCCC1
• InChI: InChI=1S/C22H30N2O2S/c1-4-17(3)24(22(25)18-7-5-6-8-18)13-19-15-27-21(23-19)14-26-20-11-9-16(2)10-12-20/h9-12,15,17-18H,4-8,13-14H2,1-3H3/t17-/m0/s1
• InChIKey: SAEGLYSCWSYOMV-KRWDZBQOSA-N
• XLogP: 5.35
• TPSA: 42.43 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	386.56
LogP ≤ 5	5.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]cyclopentanecarboxamide?

The IUPAC name of N-[(2S)-butan-2-yl]-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]cyclopentanecarboxamide (CID 93165882) is N-[(2S)-butan-2-yl]-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]cyclopentanecarboxamide.

What is the SMILES notation for N-[(2S)-butan-2-yl]-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]cyclopentanecarboxamide?

The canonical SMILES for N-[(2S)-butan-2-yl]-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]cyclopentanecarboxamide is CC[C@H](C)N(Cc1csc(COc2ccc(C)cc2)n1)C(=O)C1CCCC1.

What is the InChIKey of N-[(2S)-butan-2-yl]-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]cyclopentanecarboxamide?

The InChIKey is SAEGLYSCWSYOMV-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H30N2O2S/c1-4-17(3)24(22(25)18-7-5-6-8-18)13-19-15-27-21(23-19)14-26-20-11-9-16(2)10-12-20/h9-12,15,17-18H,4-8,13-14H2,1-3H3/t17-/m0/s1.

What are the key properties of N-[(2S)-butan-2-yl]-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]cyclopentanecarboxamide?

N-[(2S)-butan-2-yl]-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]cyclopentanecarboxamide has a molecular weight of 386.56 g/mol, XLogP of 5.35, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-butan-2-yl]-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]cyclopentanecarboxamide is sourced from PubChem (CID 93165882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).