2-[[2-(1-benzofuran-2-yl)-1,3-thiazol-4-yl]methyl-methylamino]-N-cyclohexyl-N-methylacetamide

C22H27N3O2S — CID 167860490

IUPAC2-[[2-(1-benzofuran-2-yl)-1,3-thiazol-4-yl]methyl-methylamino]-N-cyclohexyl-N-methylacetamide
SMILESCN(CC(=O)N(C)C1CCCCC1)Cc1csc(-c2cc3ccccc3o2)n1
InChIInChI=1S/C22H27N3O2S/c1-24(14-21(26)25(2)18-9-4-3-5-10-18)13-17-15-28-22(23-17)20-12-16-8-6-7-11-19(16)27-20/h6-8,11-12,15,18H,3-5,9-10,13-14H2,1-2H3
InChIKeyKYDQEEMSRPDIHW-UHFFFAOYSA-N
MW397.54 g/mol
LogP4.78
Rot. Bonds6

About 2-[[2-(1-benzofuran-2-yl)-1,3-thiazol-4-yl]methyl-methylamino]-N-cyclohexyl-N-methylacetamide

2-[[2-(1-benzofuran-2-yl)-1,3-thiazol-4-yl]methyl-methylamino]-N-cyclohexyl-N-methylacetamide (PubChem CID 167860490) has the molecular formula C22H27N3O2S and a molecular weight of 397.54 g/mol. Its IUPAC name is 2-[[2-(1-benzofuran-2-yl)-1,3-thiazol-4-yl]methyl-methylamino]-N-cyclohexyl-N-methylacetamide.

Molecular Properties

Compound Name2-[[2-(1-benzofuran-2-yl)-1,3-thiazol-4-yl]methyl-methylamino]-N-cyclohexyl-N-methylacetamide
PubChem CID167860490
Molecular FormulaC22H27N3O2S
Molecular Weight397.54 g/mol
Exact Mass397.18
IUPAC Name2-[[2-(1-benzofuran-2-yl)-1,3-thiazol-4-yl]methyl-methylamino]-N-cyclohexyl-N-methylacetamide
SMILESCN(CC(=O)N(C)C1CCCCC1)Cc1csc(-c2cc3ccccc3o2)n1
InChIInChI=1S/C22H27N3O2S/c1-24(14-21(26)25(2)18-9-4-3-5-10-18)13-17-15-28-22(23-17)20-12-16-8-6-7-11-19(16)27-20/h6-8,11-12,15,18H,3-5,9-10,13-14H2,1-2H3
InChIKeyKYDQEEMSRPDIHW-UHFFFAOYSA-N
XLogP4.78
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.54
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1-benzofuran-2-yl)-1,3-thiazol-4-yl]methyl-methylamino]-N-cyclohexyl-N-methylacetamide?
The IUPAC name of 2-[[2-(1-benzofuran-2-yl)-1,3-thiazol-4-yl]methyl-methylamino]-N-cyclohexyl-N-methylacetamide (CID 167860490) is 2-[[2-(1-benzofuran-2-yl)-1,3-thiazol-4-yl]methyl-methylamino]-N-cyclohexyl-N-methylacetamide.
What is the SMILES notation for 2-[[2-(1-benzofuran-2-yl)-1,3-thiazol-4-yl]methyl-methylamino]-N-cyclohexyl-N-methylacetamide?
The canonical SMILES for 2-[[2-(1-benzofuran-2-yl)-1,3-thiazol-4-yl]methyl-methylamino]-N-cyclohexyl-N-methylacetamide is CN(CC(=O)N(C)C1CCCCC1)Cc1csc(-c2cc3ccccc3o2)n1.
What is the InChIKey of 2-[[2-(1-benzofuran-2-yl)-1,3-thiazol-4-yl]methyl-methylamino]-N-cyclohexyl-N-methylacetamide?
The InChIKey is KYDQEEMSRPDIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2S/c1-24(14-21(26)25(2)18-9-4-3-5-10-18)13-17-15-28-22(23-17)20-12-16-8-6-7-11-19(16)27-20/h6-8,11-12,15,18H,3-5,9-10,13-14H2,1-2H3.
What are the key properties of 2-[[2-(1-benzofuran-2-yl)-1,3-thiazol-4-yl]methyl-methylamino]-N-cyclohexyl-N-methylacetamide?
2-[[2-(1-benzofuran-2-yl)-1,3-thiazol-4-yl]methyl-methylamino]-N-cyclohexyl-N-methylacetamide has a molecular weight of 397.54 g/mol, XLogP of 4.78, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1-benzofuran-2-yl)-1,3-thiazol-4-yl]methyl-methylamino]-N-cyclohexyl-N-methylacetamide is sourced from PubChem (CID 167860490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).