[4-(4-cyclopropyl-1,2,4-triazol-3-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-thiophen-2-ylmethanone

C18H22N4O2S — CID 146071647

IUPAC[4-(4-cyclopropyl-1,2,4-triazol-3-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CC(c2nncn2C2CC2)C2(CCOCC2)C1
InChIInChI=1S/C18H22N4O2S/c23-17(15-2-1-9-25-15)21-10-14(18(11-21)5-7-24-8-6-18)16-20-19-12-22(16)13-3-4-13/h1-2,9,12-14H,3-8,10-11H2
InChIKeyUNHUWOWIIJGZDT-UHFFFAOYSA-N
MW358.47 g/mol
LogP2.71
Rot. Bonds3

About [4-(4-cyclopropyl-1,2,4-triazol-3-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-thiophen-2-ylmethanone

[4-(4-cyclopropyl-1,2,4-triazol-3-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-thiophen-2-ylmethanone (PubChem CID 146071647) has the molecular formula C18H22N4O2S and a molecular weight of 358.47 g/mol. Its IUPAC name is [4-(4-cyclopropyl-1,2,4-triazol-3-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-(4-cyclopropyl-1,2,4-triazol-3-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-thiophen-2-ylmethanone
PubChem CID146071647
Molecular FormulaC18H22N4O2S
Molecular Weight358.47 g/mol
Exact Mass358.15
IUPAC Name[4-(4-cyclopropyl-1,2,4-triazol-3-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CC(c2nncn2C2CC2)C2(CCOCC2)C1
InChIInChI=1S/C18H22N4O2S/c23-17(15-2-1-9-25-15)21-10-14(18(11-21)5-7-24-8-6-18)16-20-19-12-22(16)13-3-4-13/h1-2,9,12-14H,3-8,10-11H2
InChIKeyUNHUWOWIIJGZDT-UHFFFAOYSA-N
XLogP2.71
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-thiophen-2-ylmethanone
CID 91912379
[8-(4-cyclopropyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]-pyridin-3-ylmethanone
CID 155882224
[4-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-(5-methylthiophen-2-yl)methanone
CID 146067687
cyclopropyl-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonan-2-yl]methanone
CID 146068162
[8-(4-cyclopropyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]-(3,5-dimethoxyphenyl)methanone
CID 155882390
[8-(4-cyclopropyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]-(1-methylcyclohexyl)methanone
CID 155881163
(2-bromo-5-methoxyphenyl)-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonan-2-yl]methanone;hydrochloride
CID 146070521
1-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonan-2-yl]-2-(1H-indol-3-yl)ethanone
CID 146068168
2-cyclohexyl-1-[4-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone
CID 146067696
(3aR,7aR)-2-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxylic acid
CID 137337940
1-[8-(4-cyclopropyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]-3-(1H-indol-3-yl)propan-1-one
CID 163336247
1-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonan-2-yl]-2-(4-methylpyrazol-1-yl)ethanone
CID 146067884

Frequently Asked Questions

What is the IUPAC name of [4-(4-cyclopropyl-1,2,4-triazol-3-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-(4-cyclopropyl-1,2,4-triazol-3-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-thiophen-2-ylmethanone (CID 146071647) is [4-(4-cyclopropyl-1,2,4-triazol-3-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-(4-cyclopropyl-1,2,4-triazol-3-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-(4-cyclopropyl-1,2,4-triazol-3-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)N1CC(c2nncn2C2CC2)C2(CCOCC2)C1.
What is the InChIKey of [4-(4-cyclopropyl-1,2,4-triazol-3-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-thiophen-2-ylmethanone?
The InChIKey is UNHUWOWIIJGZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2S/c23-17(15-2-1-9-25-15)21-10-14(18(11-21)5-7-24-8-6-18)16-20-19-12-22(16)13-3-4-13/h1-2,9,12-14H,3-8,10-11H2.
What are the key properties of [4-(4-cyclopropyl-1,2,4-triazol-3-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-thiophen-2-ylmethanone?
[4-(4-cyclopropyl-1,2,4-triazol-3-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-thiophen-2-ylmethanone has a molecular weight of 358.47 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-cyclopropyl-1,2,4-triazol-3-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 146071647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).