(4-tert-butylthiadiazol-5-yl)-(4-methylphenyl)methanol

C14H18N2OS — CID 105078251

IUPAC(4-tert-butylthiadiazol-5-yl)-(4-methylphenyl)methanol
SMILESCc1ccc(C(O)c2snnc2C(C)(C)C)cc1
InChIInChI=1S/C14H18N2OS/c1-9-5-7-10(8-6-9)11(17)12-13(14(2,3)4)15-16-18-12/h5-8,11,17H,1-4H3
InChIKeyGWQDNXNJEHKXKQ-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.23
Rot. Bonds2

About (4-tert-butylthiadiazol-5-yl)-(4-methylphenyl)methanol

(4-tert-butylthiadiazol-5-yl)-(4-methylphenyl)methanol (PubChem CID 105078251) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is (4-tert-butylthiadiazol-5-yl)-(4-methylphenyl)methanol.

Molecular Properties

Compound Name(4-tert-butylthiadiazol-5-yl)-(4-methylphenyl)methanol
PubChem CID105078251
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name(4-tert-butylthiadiazol-5-yl)-(4-methylphenyl)methanol
SMILESCc1ccc(C(O)c2snnc2C(C)(C)C)cc1
InChIInChI=1S/C14H18N2OS/c1-9-5-7-10(8-6-9)11(17)12-13(14(2,3)4)15-16-18-12/h5-8,11,17H,1-4H3
InChIKeyGWQDNXNJEHKXKQ-UHFFFAOYSA-N
XLogP3.23
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-tert-butylthiadiazol-5-yl)-[4-(trifluoromethyl)phenyl]methanol
CID 105093741
(4-tert-butylthiadiazol-5-yl)-(3,4-dichlorophenyl)methanol
CID 105133332
(4-tert-butylthiadiazol-5-yl)-(3-methoxyphenyl)methanol
CID 105076907
(4-tert-butylthiadiazol-5-yl)-[3-(trifluoromethyl)phenyl]methanol
CID 105092738
(4-tert-butylthiadiazol-5-yl)-(3,4-dimethoxyphenyl)methanamine
CID 105141183
(4-tert-butylthiadiazol-5-yl)-(cyclohexen-1-yl)methanol
CID 106657926
(4-tert-butylthiadiazol-5-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 102710195
(4-tert-butylthiadiazol-5-yl)-(2-fluoro-4-methoxyphenyl)methanol
CID 103397508
1-(4-tert-butylthiadiazol-5-yl)-2-(2-methylphenyl)ethanol
CID 105078113
methyl 5-[(4-tert-butylthiadiazol-5-yl)-hydroxymethyl]furan-2-carboxylate
CID 106947035
(4-methylphenyl)-[4-(4-methylphenyl)phenyl]methanol
CID 143325793
1-(4-tert-butylthiadiazol-5-yl)-2-methoxyethanol
CID 105112166

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylthiadiazol-5-yl)-(4-methylphenyl)methanol?
The IUPAC name of (4-tert-butylthiadiazol-5-yl)-(4-methylphenyl)methanol (CID 105078251) is (4-tert-butylthiadiazol-5-yl)-(4-methylphenyl)methanol.
What is the SMILES notation for (4-tert-butylthiadiazol-5-yl)-(4-methylphenyl)methanol?
The canonical SMILES for (4-tert-butylthiadiazol-5-yl)-(4-methylphenyl)methanol is Cc1ccc(C(O)c2snnc2C(C)(C)C)cc1.
What is the InChIKey of (4-tert-butylthiadiazol-5-yl)-(4-methylphenyl)methanol?
The InChIKey is GWQDNXNJEHKXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-9-5-7-10(8-6-9)11(17)12-13(14(2,3)4)15-16-18-12/h5-8,11,17H,1-4H3.
What are the key properties of (4-tert-butylthiadiazol-5-yl)-(4-methylphenyl)methanol?
(4-tert-butylthiadiazol-5-yl)-(4-methylphenyl)methanol has a molecular weight of 262.38 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylthiadiazol-5-yl)-(4-methylphenyl)methanol is sourced from PubChem (CID 105078251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).