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

C19H27N3O3S — CID 155498605

IUPACN-[[(1S,5S,6R,7R)-3-butanoyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCCCC(=O)N1C[C@@H]2[C@H](CNC(=O)c3sc(C)nc3C)[C@H]3CC[C@]2(C1)O3
InChIInChI=1S/C19H27N3O3S/c1-4-5-16(23)22-9-14-13(15-6-7-19(14,10-22)25-15)8-20-18(24)17-11(2)21-12(3)26-17/h13-15H,4-10H2,1-3H3,(H,20,24)/t13-,14+,15+,19+/m0/s1
InChIKeyQWCJDWXLVWEAFA-NRTGNBEESA-N
MW377.51 g/mol
LogP2.30
Rot. Bonds5

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

N-[[(1S,5S,6R,7R)-3-butanoyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 155498605) has the molecular formula C19H27N3O3S and a molecular weight of 377.51 g/mol. Its IUPAC name is N-[[(1S,5S,6R,7R)-3-butanoyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[[(1S,5S,6R,7R)-3-butanoyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
PubChem CID155498605
Molecular FormulaC19H27N3O3S
Molecular Weight377.51 g/mol
Exact Mass377.18
IUPAC NameN-[[(1S,5S,6R,7R)-3-butanoyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCCCC(=O)N1C[C@@H]2[C@H](CNC(=O)c3sc(C)nc3C)[C@H]3CC[C@]2(C1)O3
InChIInChI=1S/C19H27N3O3S/c1-4-5-16(23)22-9-14-13(15-6-7-19(14,10-22)25-15)8-20-18(24)17-11(2)21-12(3)26-17/h13-15H,4-10H2,1-3H3,(H,20,24)/t13-,14+,15+,19+/m0/s1
InChIKeyQWCJDWXLVWEAFA-NRTGNBEESA-N
XLogP2.30
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of N-[[(1S,5S,6R,7R)-3-butanoyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[[(1S,5S,6R,7R)-3-butanoyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide (CID 155498605) is N-[[(1S,5S,6R,7R)-3-butanoyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[[(1S,5S,6R,7R)-3-butanoyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[[(1S,5S,6R,7R)-3-butanoyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide is CCCC(=O)N1C[C@@H]2[C@H](CNC(=O)c3sc(C)nc3C)[C@H]3CC[C@]2(C1)O3.
What is the InChIKey of N-[[(1S,5S,6R,7R)-3-butanoyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is QWCJDWXLVWEAFA-NRTGNBEESA-N. The full InChI is InChI=1S/C19H27N3O3S/c1-4-5-16(23)22-9-14-13(15-6-7-19(14,10-22)25-15)8-20-18(24)17-11(2)21-12(3)26-17/h13-15H,4-10H2,1-3H3,(H,20,24)/t13-,14+,15+,19+/m0/s1.
What are the key properties of N-[[(1S,5S,6R,7R)-3-butanoyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
N-[[(1S,5S,6R,7R)-3-butanoyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 377.51 g/mol, XLogP of 2.30, 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-butanoyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 155498605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).