2-[8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]ethanol

C15H25N3O3S — CID 131648337

IUPAC2-[8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]ethanol
SMILESCc1nc(CN2CCOCC3(CN(CCO)CCO3)C2)cs1
InChIInChI=1S/C15H25N3O3S/c1-13-16-14(9-22-13)8-18-3-6-20-12-15(11-18)10-17(2-5-19)4-7-21-15/h9,19H,2-8,10-12H2,1H3
InChIKeyKPDFVEMJLZHHKT-UHFFFAOYSA-N
MW327.45 g/mol
LogP0.35
Rot. Bonds4

About 2-[8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]ethanol

2-[8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]ethanol (PubChem CID 131648337) has the molecular formula C15H25N3O3S and a molecular weight of 327.45 g/mol. Its IUPAC name is 2-[8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]ethanol.

Molecular Properties

Compound Name2-[8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]ethanol
PubChem CID131648337
Molecular FormulaC15H25N3O3S
Molecular Weight327.45 g/mol
Exact Mass327.16
IUPAC Name2-[8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]ethanol
SMILESCc1nc(CN2CCOCC3(CN(CCO)CCO3)C2)cs1
InChIInChI=1S/C15H25N3O3S/c1-13-16-14(9-22-13)8-18-3-6-20-12-15(11-18)10-17(2-5-19)4-7-21-15/h9,19H,2-8,10-12H2,1H3
InChIKeyKPDFVEMJLZHHKT-UHFFFAOYSA-N
XLogP0.35
TPSA58.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]ethanol?
The IUPAC name of 2-[8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]ethanol (CID 131648337) is 2-[8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]ethanol.
What is the SMILES notation for 2-[8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]ethanol?
The canonical SMILES for 2-[8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]ethanol is Cc1nc(CN2CCOCC3(CN(CCO)CCO3)C2)cs1.
What is the InChIKey of 2-[8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]ethanol?
The InChIKey is KPDFVEMJLZHHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3S/c1-13-16-14(9-22-13)8-18-3-6-20-12-15(11-18)10-17(2-5-19)4-7-21-15/h9,19H,2-8,10-12H2,1H3.
What are the key properties of 2-[8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]ethanol?
2-[8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]ethanol has a molecular weight of 327.45 g/mol, XLogP of 0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]ethanol is sourced from PubChem (CID 131648337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).