2-(dimethylamino)-N-[[(1S,5S,6R,7R)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide

C18H28N4O2S — CID 154823923

IUPAC2-(dimethylamino)-N-[[(1S,5S,6R,7R)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide
SMILESCc1csc(CN2C[C@@H]3[C@H](CNC(=O)CN(C)C)[C@H]4CC[C@]3(C2)O4)n1
InChIInChI=1S/C18H28N4O2S/c1-12-10-25-17(20-12)9-22-7-14-13(6-19-16(23)8-21(2)3)15-4-5-18(14,11-22)24-15/h10,13-15H,4-9,11H2,1-3H3,(H,19,23)/t13-,14+,15+,18+/m0/s1
InChIKeyQOBWXHKHEMRHEH-LUXYFRNMSA-N
MW364.52 g/mol
LogP1.11
Rot. Bonds6

About 2-(dimethylamino)-N-[[(1S,5S,6R,7R)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide

2-(dimethylamino)-N-[[(1S,5S,6R,7R)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide (PubChem CID 154823923) has the molecular formula C18H28N4O2S and a molecular weight of 364.52 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[[(1S,5S,6R,7R)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[[(1S,5S,6R,7R)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide
PubChem CID154823923
Molecular FormulaC18H28N4O2S
Molecular Weight364.52 g/mol
Exact Mass364.19
IUPAC Name2-(dimethylamino)-N-[[(1S,5S,6R,7R)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide
SMILESCc1csc(CN2C[C@@H]3[C@H](CNC(=O)CN(C)C)[C@H]4CC[C@]3(C2)O4)n1
InChIInChI=1S/C18H28N4O2S/c1-12-10-25-17(20-12)9-22-7-14-13(6-19-16(23)8-21(2)3)15-4-5-18(14,11-22)24-15/h10,13-15H,4-9,11H2,1-3H3,(H,19,23)/t13-,14+,15+,18+/m0/s1
InChIKeyQOBWXHKHEMRHEH-LUXYFRNMSA-N
XLogP1.11
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.52
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(dimethylamino)-N-[[(1S,5S,6R,7R)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[[(1S,5S,6R,7R)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide?
The IUPAC name of 2-(dimethylamino)-N-[[(1S,5S,6R,7R)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide (CID 154823923) is 2-(dimethylamino)-N-[[(1S,5S,6R,7R)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide.
What is the SMILES notation for 2-(dimethylamino)-N-[[(1S,5S,6R,7R)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide?
The canonical SMILES for 2-(dimethylamino)-N-[[(1S,5S,6R,7R)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide is Cc1csc(CN2C[C@@H]3[C@H](CNC(=O)CN(C)C)[C@H]4CC[C@]3(C2)O4)n1.
What is the InChIKey of 2-(dimethylamino)-N-[[(1S,5S,6R,7R)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide?
The InChIKey is QOBWXHKHEMRHEH-LUXYFRNMSA-N. The full InChI is InChI=1S/C18H28N4O2S/c1-12-10-25-17(20-12)9-22-7-14-13(6-19-16(23)8-21(2)3)15-4-5-18(14,11-22)24-15/h10,13-15H,4-9,11H2,1-3H3,(H,19,23)/t13-,14+,15+,18+/m0/s1.
What are the key properties of 2-(dimethylamino)-N-[[(1S,5S,6R,7R)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide?
2-(dimethylamino)-N-[[(1S,5S,6R,7R)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide has a molecular weight of 364.52 g/mol, XLogP of 1.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[[(1S,5S,6R,7R)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide is sourced from PubChem (CID 154823923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).