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

C20H29N3O2S — CID 155507459

IUPACN-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CC(=O)NC[C@H]2[C@H]3CN(C4CCCC4)C[C@]34CC[C@H]2O4)cs1
InChIInChI=1S/C20H29N3O2S/c1-13-22-14(11-26-13)8-19(24)21-9-16-17-10-23(15-4-2-3-5-15)12-20(17)7-6-18(16)25-20/h11,15-18H,2-10,12H2,1H3,(H,21,24)/t16-,17+,18+,20+/m0/s1
InChIKeyATJUYJQZOJXRNF-JRBPQWBISA-N
MW375.54 g/mol
LogP2.53
Rot. Bonds5

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

N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide (PubChem CID 155507459) has the molecular formula C20H29N3O2S and a molecular weight of 375.54 g/mol. Its IUPAC name is N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
PubChem CID155507459
Molecular FormulaC20H29N3O2S
Molecular Weight375.54 g/mol
Exact Mass375.20
IUPAC NameN-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CC(=O)NC[C@H]2[C@H]3CN(C4CCCC4)C[C@]34CC[C@H]2O4)cs1
InChIInChI=1S/C20H29N3O2S/c1-13-22-14(11-26-13)8-19(24)21-9-16-17-10-23(15-4-2-3-5-15)12-20(17)7-6-18(16)25-20/h11,15-18H,2-10,12H2,1H3,(H,21,24)/t16-,17+,18+,20+/m0/s1
InChIKeyATJUYJQZOJXRNF-JRBPQWBISA-N
XLogP2.53
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.54
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide (CID 155507459) is N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide is Cc1nc(CC(=O)NC[C@H]2[C@H]3CN(C4CCCC4)C[C@]34CC[C@H]2O4)cs1.
What is the InChIKey of N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is ATJUYJQZOJXRNF-JRBPQWBISA-N. The full InChI is InChI=1S/C20H29N3O2S/c1-13-22-14(11-26-13)8-19(24)21-9-16-17-10-23(15-4-2-3-5-15)12-20(17)7-6-18(16)25-20/h11,15-18H,2-10,12H2,1H3,(H,21,24)/t16-,17+,18+,20+/m0/s1.
What are the key properties of N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 375.54 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 155507459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).