2,3-dihydro-1,4-benzodioxin-6-yl-(4-propan-2-ylthiadiazol-5-yl)methanol

C14H16N2O3S — CID 105092350

IUPAC2,3-dihydro-1,4-benzodioxin-6-yl-(4-propan-2-ylthiadiazol-5-yl)methanol
SMILESCC(C)c1nnsc1C(O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C14H16N2O3S/c1-8(2)12-14(20-16-15-12)13(17)9-3-4-10-11(7-9)19-6-5-18-10/h3-4,7-8,13,17H,5-6H2,1-2H3
InChIKeyPWZZXGRXGCXEFE-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.51
Rot. Bonds3

About 2,3-dihydro-1,4-benzodioxin-6-yl-(4-propan-2-ylthiadiazol-5-yl)methanol

2,3-dihydro-1,4-benzodioxin-6-yl-(4-propan-2-ylthiadiazol-5-yl)methanol (PubChem CID 105092350) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzodioxin-6-yl-(4-propan-2-ylthiadiazol-5-yl)methanol.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzodioxin-6-yl-(4-propan-2-ylthiadiazol-5-yl)methanol
PubChem CID105092350
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name2,3-dihydro-1,4-benzodioxin-6-yl-(4-propan-2-ylthiadiazol-5-yl)methanol
SMILESCC(C)c1nnsc1C(O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C14H16N2O3S/c1-8(2)12-14(20-16-15-12)13(17)9-3-4-10-11(7-9)19-6-5-18-10/h3-4,7-8,13,17H,5-6H2,1-2H3
InChIKeyPWZZXGRXGCXEFE-UHFFFAOYSA-N
XLogP2.51
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

bis(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 69205409
6-propan-2-yl-2,3-dihydro-1,4-benzodioxine
CID 22951095
2,3-dihydro-1,4-benzodioxin-6-yl-(4-ethylthiadiazol-5-yl)methanamine
CID 105141062
(3-bromothiophen-2-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 55238404
azane;methane;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine
CID 159540292
(4-cyclopropylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 79972232
2,3-dihydro-1,4-benzodioxin-6-yl-(2,5-dimethylthiophen-3-yl)methanol
CID 61086868
2,3-dihydro-1,4-benzodioxin-6-yl-(4-methylthiophen-3-yl)methanol
CID 79808329
N-[2,3-dihydro-1,4-benzodioxin-6-yl-(4-ethylthiadiazol-5-yl)methyl]ethanamine
CID 105141158
(3-bromo-4-methylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 81475614
[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]azanium
CID 7047685
(1R)-2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol
CID 7300390

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzodioxin-6-yl-(4-propan-2-ylthiadiazol-5-yl)methanol?
The IUPAC name of 2,3-dihydro-1,4-benzodioxin-6-yl-(4-propan-2-ylthiadiazol-5-yl)methanol (CID 105092350) is 2,3-dihydro-1,4-benzodioxin-6-yl-(4-propan-2-ylthiadiazol-5-yl)methanol.
What is the SMILES notation for 2,3-dihydro-1,4-benzodioxin-6-yl-(4-propan-2-ylthiadiazol-5-yl)methanol?
The canonical SMILES for 2,3-dihydro-1,4-benzodioxin-6-yl-(4-propan-2-ylthiadiazol-5-yl)methanol is CC(C)c1nnsc1C(O)c1ccc2c(c1)OCCO2.
What is the InChIKey of 2,3-dihydro-1,4-benzodioxin-6-yl-(4-propan-2-ylthiadiazol-5-yl)methanol?
The InChIKey is PWZZXGRXGCXEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-8(2)12-14(20-16-15-12)13(17)9-3-4-10-11(7-9)19-6-5-18-10/h3-4,7-8,13,17H,5-6H2,1-2H3.
What are the key properties of 2,3-dihydro-1,4-benzodioxin-6-yl-(4-propan-2-ylthiadiazol-5-yl)methanol?
2,3-dihydro-1,4-benzodioxin-6-yl-(4-propan-2-ylthiadiazol-5-yl)methanol has a molecular weight of 292.36 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-benzodioxin-6-yl-(4-propan-2-ylthiadiazol-5-yl)methanol is sourced from PubChem (CID 105092350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).