1-(4-tert-butylthiadiazol-5-yl)-2-methylpentan-1-ol

C12H22N2OS — CID 107894724

IUPAC1-(4-tert-butylthiadiazol-5-yl)-2-methylpentan-1-ol
SMILESCCCC(C)C(O)c1snnc1C(C)(C)C
InChIInChI=1S/C12H22N2OS/c1-6-7-8(2)9(15)10-11(12(3,4)5)13-14-16-10/h8-9,15H,6-7H2,1-5H3
InChIKeyVDFAUANFVVZMGY-UHFFFAOYSA-N
MW242.39 g/mol
LogP3.31
Rot. Bonds4

About 1-(4-tert-butylthiadiazol-5-yl)-2-methylpentan-1-ol

1-(4-tert-butylthiadiazol-5-yl)-2-methylpentan-1-ol (PubChem CID 107894724) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is 1-(4-tert-butylthiadiazol-5-yl)-2-methylpentan-1-ol.

Molecular Properties

Compound Name1-(4-tert-butylthiadiazol-5-yl)-2-methylpentan-1-ol
PubChem CID107894724
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name1-(4-tert-butylthiadiazol-5-yl)-2-methylpentan-1-ol
SMILESCCCC(C)C(O)c1snnc1C(C)(C)C
InChIInChI=1S/C12H22N2OS/c1-6-7-8(2)9(15)10-11(12(3,4)5)13-14-16-10/h8-9,15H,6-7H2,1-5H3
InChIKeyVDFAUANFVVZMGY-UHFFFAOYSA-N
XLogP3.31
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-tert-butylthiadiazol-5-yl)-2-methylbutan-1-ol
CID 105116559
1-(4-tert-butylthiadiazol-5-yl)heptan-1-ol
CID 105085352
1-(4-tert-butylthiadiazol-5-yl)nonan-1-ol
CID 105085797
1-(4-tert-butylthiadiazol-5-yl)-3-ethylpentan-1-ol
CID 105122577
1-(4-tert-butylthiadiazol-5-yl)pentan-1-amine
CID 105125244
1-(4-tert-butylthiadiazol-5-yl)-2-methyl-N-propylbutan-1-amine
CID 105170540
1-(4-tert-butylthiadiazol-5-yl)-N-methylpentan-1-amine
CID 105125643
1-(4-tert-butylthiadiazol-5-yl)-2-methoxyethanol
CID 105112166
1-(4-tert-butylthiadiazol-5-yl)pent-4-yn-1-ol
CID 105098628
1-(4-tert-butylthiadiazol-5-yl)pent-4-en-1-amine
CID 105153331
1-(4-tert-butylthiadiazol-5-yl)heptylhydrazine
CID 105294114
1-(4-tert-butylthiadiazol-5-yl)-N-propylhexan-1-amine
CID 105129802

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylthiadiazol-5-yl)-2-methylpentan-1-ol?
The IUPAC name of 1-(4-tert-butylthiadiazol-5-yl)-2-methylpentan-1-ol (CID 107894724) is 1-(4-tert-butylthiadiazol-5-yl)-2-methylpentan-1-ol.
What is the SMILES notation for 1-(4-tert-butylthiadiazol-5-yl)-2-methylpentan-1-ol?
The canonical SMILES for 1-(4-tert-butylthiadiazol-5-yl)-2-methylpentan-1-ol is CCCC(C)C(O)c1snnc1C(C)(C)C.
What is the InChIKey of 1-(4-tert-butylthiadiazol-5-yl)-2-methylpentan-1-ol?
The InChIKey is VDFAUANFVVZMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-6-7-8(2)9(15)10-11(12(3,4)5)13-14-16-10/h8-9,15H,6-7H2,1-5H3.
What are the key properties of 1-(4-tert-butylthiadiazol-5-yl)-2-methylpentan-1-ol?
1-(4-tert-butylthiadiazol-5-yl)-2-methylpentan-1-ol has a molecular weight of 242.39 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylthiadiazol-5-yl)-2-methylpentan-1-ol is sourced from PubChem (CID 107894724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).