(4-ethylthiadiazol-5-yl)-[3-(2-methylpropyl)phenyl]methanol

C15H20N2OS — CID 105131171

IUPAC(4-ethylthiadiazol-5-yl)-[3-(2-methylpropyl)phenyl]methanol
SMILESCCc1nnsc1C(O)c1cccc(CC(C)C)c1
InChIInChI=1S/C15H20N2OS/c1-4-13-15(19-17-16-13)14(18)12-7-5-6-11(9-12)8-10(2)3/h5-7,9-10,14,18H,4,8H2,1-3H3
InChIKeyXFWHWHSJWSOVSA-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.38
Rot. Bonds5

About (4-ethylthiadiazol-5-yl)-[3-(2-methylpropyl)phenyl]methanol

(4-ethylthiadiazol-5-yl)-[3-(2-methylpropyl)phenyl]methanol (PubChem CID 105131171) has the molecular formula C15H20N2OS and a molecular weight of 276.41 g/mol. Its IUPAC name is (4-ethylthiadiazol-5-yl)-[3-(2-methylpropyl)phenyl]methanol.

Molecular Properties

Compound Name(4-ethylthiadiazol-5-yl)-[3-(2-methylpropyl)phenyl]methanol
PubChem CID105131171
Molecular FormulaC15H20N2OS
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC Name(4-ethylthiadiazol-5-yl)-[3-(2-methylpropyl)phenyl]methanol
SMILESCCc1nnsc1C(O)c1cccc(CC(C)C)c1
InChIInChI=1S/C15H20N2OS/c1-4-13-15(19-17-16-13)14(18)12-7-5-6-11(9-12)8-10(2)3/h5-7,9-10,14,18H,4,8H2,1-3H3
InChIKeyXFWHWHSJWSOVSA-UHFFFAOYSA-N
XLogP3.38
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-ethylthiadiazol-5-yl)-(3-propylphenyl)methanol
CID 105131044
1-(4-ethylthiadiazol-5-yl)-2-(3-methylphenyl)ethanol
CID 105077964
(3-chlorothiophen-2-yl)-[3-(2-methylpropyl)phenyl]methanol
CID 115838197
(4-tert-butylthiadiazol-5-yl)-[3-(2-methylpropyl)phenyl]methanamine
CID 105188050
(3-propan-2-yloxyphenyl)-(4-propylthiadiazol-5-yl)methanol
CID 105117474
(4-ethylthiadiazol-5-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanol
CID 107292136
[3-(2-methylpropyl)phenyl]-(1,3-thiazol-5-yl)methanol
CID 116542846
[4-(difluoromethyl)phenyl]-[3-(2-methylpropyl)phenyl]methanol
CID 116542777
(3-ethoxyphenyl)-[3-(2-methylpropyl)phenyl]methanol
CID 116542374
(4-ethylthiadiazol-5-yl)-(3-methylphenyl)methanamine
CID 105090458
[[3-(2-methylpropyl)phenyl]-(4-propan-2-ylthiadiazol-5-yl)methyl]hydrazine
CID 105340754
(4-ethoxyphenyl)-[3-(2-methylpropyl)phenyl]methanol
CID 116542362

Frequently Asked Questions

What is the IUPAC name of (4-ethylthiadiazol-5-yl)-[3-(2-methylpropyl)phenyl]methanol?
The IUPAC name of (4-ethylthiadiazol-5-yl)-[3-(2-methylpropyl)phenyl]methanol (CID 105131171) is (4-ethylthiadiazol-5-yl)-[3-(2-methylpropyl)phenyl]methanol.
What is the SMILES notation for (4-ethylthiadiazol-5-yl)-[3-(2-methylpropyl)phenyl]methanol?
The canonical SMILES for (4-ethylthiadiazol-5-yl)-[3-(2-methylpropyl)phenyl]methanol is CCc1nnsc1C(O)c1cccc(CC(C)C)c1.
What is the InChIKey of (4-ethylthiadiazol-5-yl)-[3-(2-methylpropyl)phenyl]methanol?
The InChIKey is XFWHWHSJWSOVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-4-13-15(19-17-16-13)14(18)12-7-5-6-11(9-12)8-10(2)3/h5-7,9-10,14,18H,4,8H2,1-3H3.
What are the key properties of (4-ethylthiadiazol-5-yl)-[3-(2-methylpropyl)phenyl]methanol?
(4-ethylthiadiazol-5-yl)-[3-(2-methylpropyl)phenyl]methanol has a molecular weight of 276.41 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylthiadiazol-5-yl)-[3-(2-methylpropyl)phenyl]methanol is sourced from PubChem (CID 105131171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).