1,9-dioxaspiro[5.5]undecan-4-yl-(4-methyl-1,3-thiazol-5-yl)methanol

C14H21NO3S — CID 105113831

IUPAC1,9-dioxaspiro[5.5]undecan-4-yl-(4-methyl-1,3-thiazol-5-yl)methanol
SMILESCc1ncsc1C(O)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C14H21NO3S/c1-10-13(19-9-15-10)12(16)11-2-5-18-14(8-11)3-6-17-7-4-14/h9,11-12,16H,2-8H2,1H3
InChIKeyKTOCCNIPAWBIFI-UHFFFAOYSA-N
MW283.39 g/mol
LogP2.46
Rot. Bonds2

About 1,9-dioxaspiro[5.5]undecan-4-yl-(4-methyl-1,3-thiazol-5-yl)methanol

1,9-dioxaspiro[5.5]undecan-4-yl-(4-methyl-1,3-thiazol-5-yl)methanol (PubChem CID 105113831) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is 1,9-dioxaspiro[5.5]undecan-4-yl-(4-methyl-1,3-thiazol-5-yl)methanol.

Molecular Properties

Compound Name1,9-dioxaspiro[5.5]undecan-4-yl-(4-methyl-1,3-thiazol-5-yl)methanol
PubChem CID105113831
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name1,9-dioxaspiro[5.5]undecan-4-yl-(4-methyl-1,3-thiazol-5-yl)methanol
SMILESCc1ncsc1C(O)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C14H21NO3S/c1-10-13(19-9-15-10)12(16)11-2-5-18-14(8-11)3-6-17-7-4-14/h9,11-12,16H,2-8H2,1H3
InChIKeyKTOCCNIPAWBIFI-UHFFFAOYSA-N
XLogP2.46
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-dioxaspiro[4.5]decan-9-yl-(4-methyl-1,3-thiazol-5-yl)methanol
CID 105116344
(4-methyl-1,3-thiazol-5-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanol
CID 105115940
N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 105169889
1,9-dioxaspiro[5.5]undecan-4-yl-(4-ethylthiadiazol-5-yl)methanol
CID 105113872
1,9-dioxaspiro[5.5]undecan-4-yl-(5-methylfuran-3-yl)methanol
CID 115820856
(4-bromo-5-methylthiophen-2-yl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol
CID 102829795
(3-methylcyclopentyl)-(4-methyl-1,3-thiazol-5-yl)methanol
CID 164650929
(4-bromophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol
CID 79900364
1,9-dioxaspiro[5.5]undecan-4-yl-(3-ethyl-2-pyridinyl)methanol
CID 82732432
(2,6-dichlorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol
CID 79898859
2,6-dioxaspiro[4.5]decan-9-yl-(4-propylthiadiazol-5-yl)methanol
CID 105116403
(4,5-dibromofuran-2-yl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol
CID 79902558

Frequently Asked Questions

What is the IUPAC name of 1,9-dioxaspiro[5.5]undecan-4-yl-(4-methyl-1,3-thiazol-5-yl)methanol?
The IUPAC name of 1,9-dioxaspiro[5.5]undecan-4-yl-(4-methyl-1,3-thiazol-5-yl)methanol (CID 105113831) is 1,9-dioxaspiro[5.5]undecan-4-yl-(4-methyl-1,3-thiazol-5-yl)methanol.
What is the SMILES notation for 1,9-dioxaspiro[5.5]undecan-4-yl-(4-methyl-1,3-thiazol-5-yl)methanol?
The canonical SMILES for 1,9-dioxaspiro[5.5]undecan-4-yl-(4-methyl-1,3-thiazol-5-yl)methanol is Cc1ncsc1C(O)C1CCOC2(CCOCC2)C1.
What is the InChIKey of 1,9-dioxaspiro[5.5]undecan-4-yl-(4-methyl-1,3-thiazol-5-yl)methanol?
The InChIKey is KTOCCNIPAWBIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-10-13(19-9-15-10)12(16)11-2-5-18-14(8-11)3-6-17-7-4-14/h9,11-12,16H,2-8H2,1H3.
What are the key properties of 1,9-dioxaspiro[5.5]undecan-4-yl-(4-methyl-1,3-thiazol-5-yl)methanol?
1,9-dioxaspiro[5.5]undecan-4-yl-(4-methyl-1,3-thiazol-5-yl)methanol has a molecular weight of 283.39 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9-dioxaspiro[5.5]undecan-4-yl-(4-methyl-1,3-thiazol-5-yl)methanol is sourced from PubChem (CID 105113831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).