[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone

C16H25N3O3S — CID 72917101

IUPAC[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
SMILESCN(C)Cc1nc(C(=O)N2CCC3(CC2)OCCCC3O)cs1
InChIInChI=1S/C16H25N3O3S/c1-18(2)10-14-17-12(11-23-14)15(21)19-7-5-16(6-8-19)13(20)4-3-9-22-16/h11,13,20H,3-10H2,1-2H3
InChIKeyRARSHJFPYWPNCT-UHFFFAOYSA-N
MW339.46 g/mol
LogP1.35
Rot. Bonds3

About [2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone

[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone (PubChem CID 72917101) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is [2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone.

Molecular Properties

Compound Name[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
PubChem CID72917101
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC Name[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
SMILESCN(C)Cc1nc(C(=O)N2CCC3(CC2)OCCCC3O)cs1
InChIInChI=1S/C16H25N3O3S/c1-18(2)10-14-17-12(11-23-14)15(21)19-7-5-16(6-8-19)13(20)4-3-9-22-16/h11,13,20H,3-10H2,1-2H3
InChIKeyRARSHJFPYWPNCT-UHFFFAOYSA-N
XLogP1.35
TPSA65.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone?
The IUPAC name of [2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone (CID 72917101) is [2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone.
What is the SMILES notation for [2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone?
The canonical SMILES for [2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone is CN(C)Cc1nc(C(=O)N2CCC3(CC2)OCCCC3O)cs1.
What is the InChIKey of [2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone?
The InChIKey is RARSHJFPYWPNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-18(2)10-14-17-12(11-23-14)15(21)19-7-5-16(6-8-19)13(20)4-3-9-22-16/h11,13,20H,3-10H2,1-2H3.
What are the key properties of [2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone?
[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone has a molecular weight of 339.46 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone is sourced from PubChem (CID 72917101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).