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

C18H27N3O2S2 — CID 154823467

IUPACN-[[(1S,5S,6R,7R)-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2-methylsulfanylacetamide
SMILESCSCC(=O)NC[C@H]1[C@H]2CN(Cc3nc(C)c(C)s3)C[C@]23CC[C@H]1O3
InChIInChI=1S/C18H27N3O2S2/c1-11-12(2)25-17(20-11)8-21-7-14-13(6-19-16(22)9-24-3)15-4-5-18(14,10-21)23-15/h13-15H,4-10H2,1-3H3,(H,19,22)/t13-,14+,15+,18+/m0/s1
InChIKeyQMFDVJOTRCVEER-LUXYFRNMSA-N
MW381.57 g/mol
LogP2.22
Rot. Bonds6

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

N-[[(1S,5S,6R,7R)-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2-methylsulfanylacetamide (PubChem CID 154823467) has the molecular formula C18H27N3O2S2 and a molecular weight of 381.57 g/mol. Its IUPAC name is N-[[(1S,5S,6R,7R)-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2-methylsulfanylacetamide.

Molecular Properties

Compound NameN-[[(1S,5S,6R,7R)-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2-methylsulfanylacetamide
PubChem CID154823467
Molecular FormulaC18H27N3O2S2
Molecular Weight381.57 g/mol
Exact Mass381.15
IUPAC NameN-[[(1S,5S,6R,7R)-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2-methylsulfanylacetamide
SMILESCSCC(=O)NC[C@H]1[C@H]2CN(Cc3nc(C)c(C)s3)C[C@]23CC[C@H]1O3
InChIInChI=1S/C18H27N3O2S2/c1-11-12(2)25-17(20-11)8-21-7-14-13(6-19-16(22)9-24-3)15-4-5-18(14,10-21)23-15/h13-15H,4-10H2,1-3H3,(H,19,22)/t13-,14+,15+,18+/m0/s1
InChIKeyQMFDVJOTRCVEER-LUXYFRNMSA-N
XLogP2.22
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.57
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[(1S,5S,6R,7R)-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2-methylsulfanylacetamide?
The IUPAC name of N-[[(1S,5S,6R,7R)-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2-methylsulfanylacetamide (CID 154823467) is N-[[(1S,5S,6R,7R)-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2-methylsulfanylacetamide.
What is the SMILES notation for N-[[(1S,5S,6R,7R)-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2-methylsulfanylacetamide?
The canonical SMILES for N-[[(1S,5S,6R,7R)-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2-methylsulfanylacetamide is CSCC(=O)NC[C@H]1[C@H]2CN(Cc3nc(C)c(C)s3)C[C@]23CC[C@H]1O3.
What is the InChIKey of N-[[(1S,5S,6R,7R)-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2-methylsulfanylacetamide?
The InChIKey is QMFDVJOTRCVEER-LUXYFRNMSA-N. The full InChI is InChI=1S/C18H27N3O2S2/c1-11-12(2)25-17(20-11)8-21-7-14-13(6-19-16(22)9-24-3)15-4-5-18(14,10-21)23-15/h13-15H,4-10H2,1-3H3,(H,19,22)/t13-,14+,15+,18+/m0/s1.
What are the key properties of N-[[(1S,5S,6R,7R)-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2-methylsulfanylacetamide?
N-[[(1S,5S,6R,7R)-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2-methylsulfanylacetamide has a molecular weight of 381.57 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,5S,6R,7R)-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2-methylsulfanylacetamide is sourced from PubChem (CID 154823467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).