2-(3-hydroxypropyl)-8-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one

C18H27N3O3S — CID 70732443

IUPAC2-(3-hydroxypropyl)-8-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESCc1nc(CC(=O)N2CCCC3(CCC(=O)N(CCCO)C3)C2)cs1
InChIInChI=1S/C18H27N3O3S/c1-14-19-15(11-25-14)10-17(24)21-7-2-5-18(13-21)6-4-16(23)20(12-18)8-3-9-22/h11,22H,2-10,12-13H2,1H3
InChIKeyQJHVQRKBRPESBW-UHFFFAOYSA-N
MW365.50 g/mol
LogP1.61
Rot. Bonds5

About 2-(3-hydroxypropyl)-8-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one

2-(3-hydroxypropyl)-8-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 70732443) has the molecular formula C18H27N3O3S and a molecular weight of 365.50 g/mol. Its IUPAC name is 2-(3-hydroxypropyl)-8-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-(3-hydroxypropyl)-8-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID70732443
Molecular FormulaC18H27N3O3S
Molecular Weight365.50 g/mol
Exact Mass365.18
IUPAC Name2-(3-hydroxypropyl)-8-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESCc1nc(CC(=O)N2CCCC3(CCC(=O)N(CCCO)C3)C2)cs1
InChIInChI=1S/C18H27N3O3S/c1-14-19-15(11-25-14)10-17(24)21-7-2-5-18(13-21)6-4-16(23)20(12-18)8-3-9-22/h11,22H,2-10,12-13H2,1H3
InChIKeyQJHVQRKBRPESBW-UHFFFAOYSA-N
XLogP1.61
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypropyl)-8-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-(3-hydroxypropyl)-8-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one (CID 70732443) is 2-(3-hydroxypropyl)-8-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-(3-hydroxypropyl)-8-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-(3-hydroxypropyl)-8-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one is Cc1nc(CC(=O)N2CCCC3(CCC(=O)N(CCCO)C3)C2)cs1.
What is the InChIKey of 2-(3-hydroxypropyl)-8-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is QJHVQRKBRPESBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3S/c1-14-19-15(11-25-14)10-17(24)21-7-2-5-18(13-21)6-4-16(23)20(12-18)8-3-9-22/h11,22H,2-10,12-13H2,1H3.
What are the key properties of 2-(3-hydroxypropyl)-8-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one?
2-(3-hydroxypropyl)-8-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 365.50 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypropyl)-8-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70732443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).