(4-tert-butylthiadiazol-5-yl)-(3-methoxyphenyl)methanol

C14H18N2O2S — CID 105076907

IUPAC(4-tert-butylthiadiazol-5-yl)-(3-methoxyphenyl)methanol
SMILESCOc1cccc(C(O)c2snnc2C(C)(C)C)c1
InChIInChI=1S/C14H18N2O2S/c1-14(2,3)13-12(19-16-15-13)11(17)9-6-5-7-10(8-9)18-4/h5-8,11,17H,1-4H3
InChIKeyQSTFYHPCZHWVCT-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.93
Rot. Bonds3

About (4-tert-butylthiadiazol-5-yl)-(3-methoxyphenyl)methanol

(4-tert-butylthiadiazol-5-yl)-(3-methoxyphenyl)methanol (PubChem CID 105076907) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is (4-tert-butylthiadiazol-5-yl)-(3-methoxyphenyl)methanol.

Molecular Properties

Compound Name(4-tert-butylthiadiazol-5-yl)-(3-methoxyphenyl)methanol
PubChem CID105076907
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name(4-tert-butylthiadiazol-5-yl)-(3-methoxyphenyl)methanol
SMILESCOc1cccc(C(O)c2snnc2C(C)(C)C)c1
InChIInChI=1S/C14H18N2O2S/c1-14(2,3)13-12(19-16-15-13)11(17)9-6-5-7-10(8-9)18-4/h5-8,11,17H,1-4H3
InChIKeyQSTFYHPCZHWVCT-UHFFFAOYSA-N
XLogP2.93
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4-tert-butylthiadiazol-5-yl)-(3-methoxyphenyl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-tert-butylthiadiazol-5-yl)-2-(3-methoxyphenyl)ethanol
CID 105087087
(4-tert-butylthiadiazol-5-yl)-[3-(trifluoromethyl)phenyl]methanol
CID 105092738
(4-tert-butylthiadiazol-5-yl)-(2-fluoro-4-methoxyphenyl)methanol
CID 103397508
(4-tert-butylthiadiazol-5-yl)-(4-methylphenyl)methanol
CID 105078251
(4-tert-butylthiadiazol-5-yl)-[4-(trifluoromethyl)phenyl]methanol
CID 105093741
(4-tert-butylthiadiazol-5-yl)-(2,4-dimethoxyphenyl)methanamine
CID 105145080
1-(4-tert-butylthiadiazol-5-yl)-3-(4-methoxyphenyl)propan-1-ol
CID 105101479
(3,5-dimethoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol
CID 105114504
(3,4-dichlorophenyl)-(3-methoxyphenyl)methanol
CID 61083356
(1R)-1-(3-methoxyphenyl)ethanol
CID 10219539
(3-propan-2-yloxyphenyl)-(4-propylthiadiazol-5-yl)methanol
CID 105117474
(R)-(4-chlorophenyl)-(3-methoxyphenyl)methanol
CID 7146657

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylthiadiazol-5-yl)-(3-methoxyphenyl)methanol?
The IUPAC name of (4-tert-butylthiadiazol-5-yl)-(3-methoxyphenyl)methanol (CID 105076907) is (4-tert-butylthiadiazol-5-yl)-(3-methoxyphenyl)methanol.
What is the SMILES notation for (4-tert-butylthiadiazol-5-yl)-(3-methoxyphenyl)methanol?
The canonical SMILES for (4-tert-butylthiadiazol-5-yl)-(3-methoxyphenyl)methanol is COc1cccc(C(O)c2snnc2C(C)(C)C)c1.
What is the InChIKey of (4-tert-butylthiadiazol-5-yl)-(3-methoxyphenyl)methanol?
The InChIKey is QSTFYHPCZHWVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-14(2,3)13-12(19-16-15-13)11(17)9-6-5-7-10(8-9)18-4/h5-8,11,17H,1-4H3.
What are the key properties of (4-tert-butylthiadiazol-5-yl)-(3-methoxyphenyl)methanol?
(4-tert-butylthiadiazol-5-yl)-(3-methoxyphenyl)methanol has a molecular weight of 278.38 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylthiadiazol-5-yl)-(3-methoxyphenyl)methanol is sourced from PubChem (CID 105076907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).