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-ethoxyacetamide

C19H29N3O3S — CID 154818553

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-ethoxyacetamide
SMILESCCOCC(=O)NC[C@H]1[C@H]2CN(Cc3nc(C)c(C)s3)C[C@]23CC[C@H]1O3
InChIInChI=1S/C19H29N3O3S/c1-4-24-10-17(23)20-7-14-15-8-22(9-18-21-12(2)13(3)26-18)11-19(15)6-5-16(14)25-19/h14-16H,4-11H2,1-3H3,(H,20,23)/t14-,15+,16+,19+/m0/s1
InChIKeyKHHXPAXKIGTMQR-WFXMFSGNSA-N
MW379.53 g/mol
LogP1.89
Rot. Bonds7

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-ethoxyacetamide

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-ethoxyacetamide (PubChem CID 154818553) has the molecular formula C19H29N3O3S and a molecular weight of 379.53 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-ethoxyacetamide.

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-ethoxyacetamide
PubChem CID154818553
Molecular FormulaC19H29N3O3S
Molecular Weight379.53 g/mol
Exact Mass379.19
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-ethoxyacetamide
SMILESCCOCC(=O)NC[C@H]1[C@H]2CN(Cc3nc(C)c(C)s3)C[C@]23CC[C@H]1O3
InChIInChI=1S/C19H29N3O3S/c1-4-24-10-17(23)20-7-14-15-8-22(9-18-21-12(2)13(3)26-18)11-19(15)6-5-16(14)25-19/h14-16H,4-11H2,1-3H3,(H,20,23)/t14-,15+,16+,19+/m0/s1
InChIKeyKHHXPAXKIGTMQR-WFXMFSGNSA-N
XLogP1.89
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 51.89
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-ethoxyacetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-({rel-(1S,5S,6R,7R)-3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-6-yl}methyl)-3-methylbutanamide
CID 154816888
4-methyl-N-({rel-(1S,5S,6R,7R)-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-6-yl}methyl)pentanamide
CID 154818752
N-({rel-(1S,5S,6R,7R)-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-6-yl}methyl)-1-methylcyclopropanecarboxamide
CID 154822164
N-({rel-(1S,5S,6R,7R)-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-6-yl}methyl)-2-(methylthio)acetamide
CID 154823467
2,4-dimethyl-N-{[rel-(1S,5S,6R,7R)-3-(3-methyl-2-buten-1-yl)-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-6-yl]methyl}-1,3-thiazole-5-carboxamide
CID 154823828
N~2~,N~2~-dimethyl-N~1~-({rel-(1S,5S,6R,7R)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-6-yl}methyl)glycinamide
CID 154823923
N-({rel-(1S,5S,6R,7R)-3-[(4-isopropyl-1,3-thiazol-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-6-yl}methyl)-2-methoxyacetamide formate
CID 155494073
N-{[rel-(1S,5S,6R,7R)-3-(4,5-dimethyl-1,3-thiazol-2-yl)-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-6-yl]methyl}-2-(ethylthio)acetamide
CID 155494256
N-{[rel-(1S,5S,6R,7R)-3-(cyclopropylmethyl)-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-6-yl]methyl}-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 155494759
N-({rel-(1S,5S,6R,7R)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-6-yl}methyl)-3-(methylthio)propanamide formate
CID 155494945
N-({rel-(1S,5S,6R,7R)-3-[(2-ethyl-1,3-thiazol-4-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-6-yl}methyl)-3-methylbutanamide formate
CID 155497292
N-{[rel-(1S,5S,6R,7R)-3-butyryl-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-6-yl]methyl}-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 155498605

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-ethoxyacetamide?
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-ethoxyacetamide (CID 154818553) 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-ethoxyacetamide.
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-ethoxyacetamide?
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-ethoxyacetamide is CCOCC(=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-ethoxyacetamide?
The InChIKey is KHHXPAXKIGTMQR-WFXMFSGNSA-N. The full InChI is InChI=1S/C19H29N3O3S/c1-4-24-10-17(23)20-7-14-15-8-22(9-18-21-12(2)13(3)26-18)11-19(15)6-5-16(14)25-19/h14-16H,4-11H2,1-3H3,(H,20,23)/t14-,15+,16+,19+/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-ethoxyacetamide?
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-ethoxyacetamide has a molecular weight of 379.53 g/mol, XLogP of 1.89, 7 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-ethoxyacetamide is sourced from PubChem (CID 154818553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).