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

C18H22N4O3S — CID 154817277

IUPACN-[[(1S,5S,6R,7R)-3-(furan-2-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-4-methyl-1,2,5-thiadiazole-3-carboxamide
SMILESCc1nsnc1C(=O)NC[C@H]1[C@H]2CN(Cc3ccco3)C[C@]23CC[C@H]1O3
InChIInChI=1S/C18H22N4O3S/c1-11-16(21-26-20-11)17(23)19-7-13-14-9-22(8-12-3-2-6-24-12)10-18(14)5-4-15(13)25-18/h2-3,6,13-15H,4-5,7-10H2,1H3,(H,19,23)/t13-,14+,15+,18+/m0/s1
InChIKeyATKQXOXAZWTNMD-LUXYFRNMSA-N
MW374.47 g/mol
LogP1.85
Rot. Bonds5

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

N-[[(1S,5S,6R,7R)-3-(furan-2-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-4-methyl-1,2,5-thiadiazole-3-carboxamide (PubChem CID 154817277) has the molecular formula C18H22N4O3S and a molecular weight of 374.47 g/mol. Its IUPAC name is N-[[(1S,5S,6R,7R)-3-(furan-2-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-4-methyl-1,2,5-thiadiazole-3-carboxamide.

Molecular Properties

Compound NameN-[[(1S,5S,6R,7R)-3-(furan-2-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-4-methyl-1,2,5-thiadiazole-3-carboxamide
PubChem CID154817277
Molecular FormulaC18H22N4O3S
Molecular Weight374.47 g/mol
Exact Mass374.14
IUPAC NameN-[[(1S,5S,6R,7R)-3-(furan-2-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-4-methyl-1,2,5-thiadiazole-3-carboxamide
SMILESCc1nsnc1C(=O)NC[C@H]1[C@H]2CN(Cc3ccco3)C[C@]23CC[C@H]1O3
InChIInChI=1S/C18H22N4O3S/c1-11-16(21-26-20-11)17(23)19-7-13-14-9-22(8-12-3-2-6-24-12)10-18(14)5-4-15(13)25-18/h2-3,6,13-15H,4-5,7-10H2,1H3,(H,19,23)/t13-,14+,15+,18+/m0/s1
InChIKeyATKQXOXAZWTNMD-LUXYFRNMSA-N
XLogP1.85
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

N-[[(1S,5S,6R,7R)-3-[(2-methoxy-4-pyridinyl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-4-methyl-1,2,5-thiadiazole-3-carboxamide
CID 155496247
N-[[(1S,5S,6R,7R)-3-[(4-chlorophenyl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]furan-2-carboxamide
CID 155494110
5-methyl-N-[[(1S,5S,6R,7R)-3-[(5-methylfuran-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1H-imidazole-4-carboxamide
CID 155495134
3-methyl-N-[[(1S,5S,6R,7R)-3-[(3-methylphenyl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]furan-2-carboxamide
CID 154819600
N-[[(1S,5S,6R,7R)-3-[(6-methyl-2-pyridinyl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]thiophene-2-carboxamide
CID 155505884
5-ethyl-N-[[(1S,5S,6R,7R)-3-(thiophen-2-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1,2-oxazole-3-carboxamide
CID 169416983
5-methyl-N-[[(1S,5S,6R,7R)-3-(thiophen-3-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pyrazine-2-carboxamide
CID 155492884
N-[[(1S,5S,6R,7R)-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]thiophene-3-carboxamide
CID 154820949
1-methyl-N-[[(1S,5S,6R,7R)-3-[(2-methylphenyl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]imidazole-4-carboxamide
CID 155509544
4-N-[[(1S,5S,6R,7R)-3-benzyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]benzene-1,4-dicarboxamide
CID 155499567
N-[[(1S,5S,6R,7R)-3-[(5-chlorothiophen-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pyridine-3-carboxamide
CID 155502892
N-[[(1S,5S,6R,7R)-3-[(5-chlorofuran-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-3-(1,2,4-triazol-4-yl)propanamide
CID 169419841

Frequently Asked Questions

What is the IUPAC name of N-[[(1S,5S,6R,7R)-3-(furan-2-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-4-methyl-1,2,5-thiadiazole-3-carboxamide?
The IUPAC name of N-[[(1S,5S,6R,7R)-3-(furan-2-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-4-methyl-1,2,5-thiadiazole-3-carboxamide (CID 154817277) is N-[[(1S,5S,6R,7R)-3-(furan-2-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-4-methyl-1,2,5-thiadiazole-3-carboxamide.
What is the SMILES notation for N-[[(1S,5S,6R,7R)-3-(furan-2-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-4-methyl-1,2,5-thiadiazole-3-carboxamide?
The canonical SMILES for N-[[(1S,5S,6R,7R)-3-(furan-2-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-4-methyl-1,2,5-thiadiazole-3-carboxamide is Cc1nsnc1C(=O)NC[C@H]1[C@H]2CN(Cc3ccco3)C[C@]23CC[C@H]1O3.
What is the InChIKey of N-[[(1S,5S,6R,7R)-3-(furan-2-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-4-methyl-1,2,5-thiadiazole-3-carboxamide?
The InChIKey is ATKQXOXAZWTNMD-LUXYFRNMSA-N. The full InChI is InChI=1S/C18H22N4O3S/c1-11-16(21-26-20-11)17(23)19-7-13-14-9-22(8-12-3-2-6-24-12)10-18(14)5-4-15(13)25-18/h2-3,6,13-15H,4-5,7-10H2,1H3,(H,19,23)/t13-,14+,15+,18+/m0/s1.
What are the key properties of N-[[(1S,5S,6R,7R)-3-(furan-2-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-4-methyl-1,2,5-thiadiazole-3-carboxamide?
N-[[(1S,5S,6R,7R)-3-(furan-2-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-4-methyl-1,2,5-thiadiazole-3-carboxamide has a molecular weight of 374.47 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,5S,6R,7R)-3-(furan-2-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-4-methyl-1,2,5-thiadiazole-3-carboxamide is sourced from PubChem (CID 154817277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).