[9-(cyclopropylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(1,3-thiazol-4-yl)methanone

C16H23N3O2S — CID 97385625

IUPAC[9-(cyclopropylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)N1CCOC2(CCN(CC3CC3)CC2)C1
InChIInChI=1S/C16H23N3O2S/c20-15(14-10-22-12-17-14)19-7-8-21-16(11-19)3-5-18(6-4-16)9-13-1-2-13/h10,12-13H,1-9,11H2
InChIKeyUAPHNNYYICEHRP-UHFFFAOYSA-N
MW321.45 g/mol
LogP1.86
Rot. Bonds3

About [9-(cyclopropylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(1,3-thiazol-4-yl)methanone

[9-(cyclopropylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 97385625) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is [9-(cyclopropylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[9-(cyclopropylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(1,3-thiazol-4-yl)methanone
PubChem CID97385625
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC Name[9-(cyclopropylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)N1CCOC2(CCN(CC3CC3)CC2)C1
InChIInChI=1S/C16H23N3O2S/c20-15(14-10-22-12-17-14)19-7-8-21-16(11-19)3-5-18(6-4-16)9-13-1-2-13/h10,12-13H,1-9,11H2
InChIKeyUAPHNNYYICEHRP-UHFFFAOYSA-N
XLogP1.86
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [9-(cyclopropylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(1,3-thiazol-4-yl)methanone?
The IUPAC name of [9-(cyclopropylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(1,3-thiazol-4-yl)methanone (CID 97385625) is [9-(cyclopropylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [9-(cyclopropylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for [9-(cyclopropylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(1,3-thiazol-4-yl)methanone is O=C(c1cscn1)N1CCOC2(CCN(CC3CC3)CC2)C1.
What is the InChIKey of [9-(cyclopropylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(1,3-thiazol-4-yl)methanone?
The InChIKey is UAPHNNYYICEHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S/c20-15(14-10-22-12-17-14)19-7-8-21-16(11-19)3-5-18(6-4-16)9-13-1-2-13/h10,12-13H,1-9,11H2.
What are the key properties of [9-(cyclopropylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(1,3-thiazol-4-yl)methanone?
[9-(cyclopropylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 321.45 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [9-(cyclopropylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 97385625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).