N-[[(1S,5S,6R,7R)-3-(cyclopropylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1,3-thiazole-4-carboxamide

C17H23N3O2S — CID 155501440

IUPACN-[[(1S,5S,6R,7R)-3-(cyclopropylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NC[C@H]1[C@H]2CN(CC3CC3)C[C@]23CC[C@H]1O3)c1cscn1
InChIInChI=1S/C17H23N3O2S/c21-16(14-8-23-10-19-14)18-5-12-13-7-20(6-11-1-2-11)9-17(13)4-3-15(12)22-17/h8,10-13,15H,1-7,9H2,(H,18,21)/t12-,13+,15+,17+/m0/s1
InChIKeyWDDJCSMZMMGHQJ-TZDHZFECSA-N
MW333.46 g/mol
LogP1.76
Rot. Bonds5

About N-[[(1S,5S,6R,7R)-3-(cyclopropylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1,3-thiazole-4-carboxamide

N-[[(1S,5S,6R,7R)-3-(cyclopropylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 155501440) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is N-[[(1S,5S,6R,7R)-3-(cyclopropylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[[(1S,5S,6R,7R)-3-(cyclopropylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1,3-thiazole-4-carboxamide
PubChem CID155501440
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC NameN-[[(1S,5S,6R,7R)-3-(cyclopropylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NC[C@H]1[C@H]2CN(CC3CC3)C[C@]23CC[C@H]1O3)c1cscn1
InChIInChI=1S/C17H23N3O2S/c21-16(14-8-23-10-19-14)18-5-12-13-7-20(6-11-1-2-11)9-17(13)4-3-15(12)22-17/h8,10-13,15H,1-7,9H2,(H,18,21)/t12-,13+,15+,17+/m0/s1
InChIKeyWDDJCSMZMMGHQJ-TZDHZFECSA-N
XLogP1.76
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[(1S,5S,6R,7R)-3-(cyclopropylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1,3-thiazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[(1S,5S,6R,7R)-3-(cyclopropylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[[(1S,5S,6R,7R)-3-(cyclopropylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1,3-thiazole-4-carboxamide (CID 155501440) is N-[[(1S,5S,6R,7R)-3-(cyclopropylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[[(1S,5S,6R,7R)-3-(cyclopropylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[[(1S,5S,6R,7R)-3-(cyclopropylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1,3-thiazole-4-carboxamide is O=C(NC[C@H]1[C@H]2CN(CC3CC3)C[C@]23CC[C@H]1O3)c1cscn1.
What is the InChIKey of N-[[(1S,5S,6R,7R)-3-(cyclopropylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is WDDJCSMZMMGHQJ-TZDHZFECSA-N. The full InChI is InChI=1S/C17H23N3O2S/c21-16(14-8-23-10-19-14)18-5-12-13-7-20(6-11-1-2-11)9-17(13)4-3-15(12)22-17/h8,10-13,15H,1-7,9H2,(H,18,21)/t12-,13+,15+,17+/m0/s1.
What are the key properties of N-[[(1S,5S,6R,7R)-3-(cyclopropylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1,3-thiazole-4-carboxamide?
N-[[(1S,5S,6R,7R)-3-(cyclopropylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 333.46 g/mol, XLogP of 1.76, 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-(cyclopropylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 155501440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).