(2-propan-2-yloxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol

C15H20N2O2S — CID 105117017

IUPAC(2-propan-2-yloxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol
SMILESCC(C)Oc1ccccc1C(O)c1snnc1C(C)C
InChIInChI=1S/C15H20N2O2S/c1-9(2)13-15(20-17-16-13)14(18)11-7-5-6-8-12(11)19-10(3)4/h5-10,14,18H,1-4H3
InChIKeyYCUGQYHBOXYRKL-UHFFFAOYSA-N
MW292.40 g/mol
LogP3.53
Rot. Bonds5

About (2-propan-2-yloxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol

(2-propan-2-yloxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol (PubChem CID 105117017) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is (2-propan-2-yloxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol.

Molecular Properties

Compound Name(2-propan-2-yloxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol
PubChem CID105117017
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name(2-propan-2-yloxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol
SMILESCC(C)Oc1ccccc1C(O)c1snnc1C(C)C
InChIInChI=1S/C15H20N2O2S/c1-9(2)13-15(20-17-16-13)14(18)11-7-5-6-8-12(11)19-10(3)4/h5-10,14,18H,1-4H3
InChIKeyYCUGQYHBOXYRKL-UHFFFAOYSA-N
XLogP3.53
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-fluoro-3-methoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol
CID 105120967
(2-ethoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine
CID 105144931
1-(2-propan-2-yloxyphenyl)propane-1,2-diol
CID 103452569
(3,5-dibromophenyl)-(2-propan-2-yloxyphenyl)methanol
CID 107978570
(4-bromo-3-chloro-2-fluorophenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol
CID 106765130
(4-chloro-3-methoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol
CID 105111085
1-(2-propan-2-yloxyphenyl)-N-(thiadiazol-4-ylmethyl)ethanamine
CID 43735008
(2-propan-2-yloxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanol
CID 115823724
(2-methylpyrimidin-4-yl)-(2-propan-2-yloxyphenyl)methanol
CID 115527943
[3-(difluoromethyl)phenyl]-(2-propan-2-yloxyphenyl)methanol
CID 115527689
4-[hydroxy-(2-propan-2-yloxyphenyl)methyl]benzonitrile
CID 115480983
(5-bromo-4-methylthiophen-2-yl)-(2-propan-2-yloxyphenyl)methanol
CID 115823703

Frequently Asked Questions

What is the IUPAC name of (2-propan-2-yloxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol?
The IUPAC name of (2-propan-2-yloxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol (CID 105117017) is (2-propan-2-yloxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol.
What is the SMILES notation for (2-propan-2-yloxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol?
The canonical SMILES for (2-propan-2-yloxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol is CC(C)Oc1ccccc1C(O)c1snnc1C(C)C.
What is the InChIKey of (2-propan-2-yloxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol?
The InChIKey is YCUGQYHBOXYRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-9(2)13-15(20-17-16-13)14(18)11-7-5-6-8-12(11)19-10(3)4/h5-10,14,18H,1-4H3.
What are the key properties of (2-propan-2-yloxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol?
(2-propan-2-yloxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol has a molecular weight of 292.40 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propan-2-yloxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol is sourced from PubChem (CID 105117017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).