1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]propan-2-ol

C16H27N3O2S — CID 134072470

IUPAC1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]propan-2-ol
SMILESCc1nc(CN2CCOCC23CCN(CC(C)O)CC3)cs1
InChIInChI=1S/C16H27N3O2S/c1-13(20)9-18-5-3-16(4-6-18)12-21-8-7-19(16)10-15-11-22-14(2)17-15/h11,13,20H,3-10,12H2,1-2H3
InChIKeyMATIMCLSOGUXCX-UHFFFAOYSA-N
MW325.48 g/mol
LogP1.50
Rot. Bonds4

About 1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]propan-2-ol

1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]propan-2-ol (PubChem CID 134072470) has the molecular formula C16H27N3O2S and a molecular weight of 325.48 g/mol. Its IUPAC name is 1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]propan-2-ol.

Molecular Properties

Compound Name1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]propan-2-ol
PubChem CID134072470
Molecular FormulaC16H27N3O2S
Molecular Weight325.48 g/mol
Exact Mass325.18
IUPAC Name1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]propan-2-ol
SMILESCc1nc(CN2CCOCC23CCN(CC(C)O)CC3)cs1
InChIInChI=1S/C16H27N3O2S/c1-13(20)9-18-5-3-16(4-6-18)12-21-8-7-19(16)10-15-11-22-14(2)17-15/h11,13,20H,3-10,12H2,1-2H3
InChIKeyMATIMCLSOGUXCX-UHFFFAOYSA-N
XLogP1.50
TPSA48.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]propan-2-ol?
The IUPAC name of 1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]propan-2-ol (CID 134072470) is 1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]propan-2-ol.
What is the SMILES notation for 1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]propan-2-ol?
The canonical SMILES for 1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]propan-2-ol is Cc1nc(CN2CCOCC23CCN(CC(C)O)CC3)cs1.
What is the InChIKey of 1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]propan-2-ol?
The InChIKey is MATIMCLSOGUXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2S/c1-13(20)9-18-5-3-16(4-6-18)12-21-8-7-19(16)10-15-11-22-14(2)17-15/h11,13,20H,3-10,12H2,1-2H3.
What are the key properties of 1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]propan-2-ol?
1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]propan-2-ol has a molecular weight of 325.48 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]propan-2-ol is sourced from PubChem (CID 134072470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).