oxan-4-yl-[9-(1,3-thiazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone

C19H29N3O2S — CID 97370622

IUPACoxan-4-yl-[9-(1,3-thiazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone
SMILESO=C(C1CCOCC1)N1CCC2(CCN(Cc3nccs3)CC2)CC1
InChIInChI=1S/C19H29N3O2S/c23-18(16-1-12-24-13-2-16)22-10-5-19(6-11-22)3-8-21(9-4-19)15-17-20-7-14-25-17/h7,14,16H,1-6,8-13,15H2
InChIKeyLSZGMCQPQJOYEL-UHFFFAOYSA-N
MW363.53 g/mol
LogP2.77
Rot. Bonds3

About oxan-4-yl-[9-(1,3-thiazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone

oxan-4-yl-[9-(1,3-thiazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone (PubChem CID 97370622) has the molecular formula C19H29N3O2S and a molecular weight of 363.53 g/mol. Its IUPAC name is oxan-4-yl-[9-(1,3-thiazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone.

Molecular Properties

Compound Nameoxan-4-yl-[9-(1,3-thiazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone
PubChem CID97370622
Molecular FormulaC19H29N3O2S
Molecular Weight363.53 g/mol
Exact Mass363.20
IUPAC Nameoxan-4-yl-[9-(1,3-thiazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone
SMILESO=C(C1CCOCC1)N1CCC2(CCN(Cc3nccs3)CC2)CC1
InChIInChI=1S/C19H29N3O2S/c23-18(16-1-12-24-13-2-16)22-10-5-19(6-11-22)3-8-21(9-4-19)15-17-20-7-14-25-17/h7,14,16H,1-6,8-13,15H2
InChIKeyLSZGMCQPQJOYEL-UHFFFAOYSA-N
XLogP2.77
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.53
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of oxan-4-yl-[9-(1,3-thiazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone?
The IUPAC name of oxan-4-yl-[9-(1,3-thiazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone (CID 97370622) is oxan-4-yl-[9-(1,3-thiazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone.
What is the SMILES notation for oxan-4-yl-[9-(1,3-thiazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone?
The canonical SMILES for oxan-4-yl-[9-(1,3-thiazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone is O=C(C1CCOCC1)N1CCC2(CCN(Cc3nccs3)CC2)CC1.
What is the InChIKey of oxan-4-yl-[9-(1,3-thiazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone?
The InChIKey is LSZGMCQPQJOYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2S/c23-18(16-1-12-24-13-2-16)22-10-5-19(6-11-22)3-8-21(9-4-19)15-17-20-7-14-25-17/h7,14,16H,1-6,8-13,15H2.
What are the key properties of oxan-4-yl-[9-(1,3-thiazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone?
oxan-4-yl-[9-(1,3-thiazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone has a molecular weight of 363.53 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-yl-[9-(1,3-thiazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone is sourced from PubChem (CID 97370622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).