1-(4-tert-butylthiadiazol-5-yl)-4-(oxolan-2-yl)butan-1-ol

C14H24N2O2S — CID 105104849

IUPAC1-(4-tert-butylthiadiazol-5-yl)-4-(oxolan-2-yl)butan-1-ol
SMILESCC(C)(C)c1nnsc1C(O)CCCC1CCCO1
InChIInChI=1S/C14H24N2O2S/c1-14(2,3)13-12(19-16-15-13)11(17)8-4-6-10-7-5-9-18-10/h10-11,17H,4-9H2,1-3H3
InChIKeyKXUXOPBUKUSCRF-UHFFFAOYSA-N
MW284.42 g/mol
LogP3.22
Rot. Bonds5

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

1-(4-tert-butylthiadiazol-5-yl)-4-(oxolan-2-yl)butan-1-ol (PubChem CID 105104849) has the molecular formula C14H24N2O2S and a molecular weight of 284.42 g/mol. Its IUPAC name is 1-(4-tert-butylthiadiazol-5-yl)-4-(oxolan-2-yl)butan-1-ol.

Molecular Properties

Compound Name1-(4-tert-butylthiadiazol-5-yl)-4-(oxolan-2-yl)butan-1-ol
PubChem CID105104849
Molecular FormulaC14H24N2O2S
Molecular Weight284.42 g/mol
Exact Mass284.16
IUPAC Name1-(4-tert-butylthiadiazol-5-yl)-4-(oxolan-2-yl)butan-1-ol
SMILESCC(C)(C)c1nnsc1C(O)CCCC1CCCO1
InChIInChI=1S/C14H24N2O2S/c1-14(2,3)13-12(19-16-15-13)11(17)8-4-6-10-7-5-9-18-10/h10-11,17H,4-9H2,1-3H3
InChIKeyKXUXOPBUKUSCRF-UHFFFAOYSA-N
XLogP3.22
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-ethylthiadiazol-5-yl)-4-(oxolan-2-yl)butan-1-amine
CID 105156525
1-(4-tert-butylthiadiazol-5-yl)heptan-1-ol
CID 105085352
3-methyl-6-(oxolan-2-yl)hexan-2-ol
CID 65166050
2-[4-(bromomethyl)-5,5-dimethylhexyl]oxolane
CID 83141397
1-(2,4-dimethylphenyl)-4-(oxolan-2-yl)butan-1-ol
CID 65161655
1-(oxolan-2-yl)octane-4,5-diol
CID 103454832
2-[4-[5-(oxolan-2-yl)pentan-2-ylsulfanyl]pentyl]oxolane
CID 54448834
2-[4-(chloromethyl)hexyl]oxolane
CID 66034557
2-(5-chloro-4-methylpentyl)oxolane
CID 65165310
1-cyclobutyl-4-(oxolan-2-yl)butan-1-ol
CID 65167122
5-(aminomethyl)-6-methyl-1-(oxolan-2-yl)heptan-4-ol
CID 107443069
5-ethoxy-5-methyl-1-(oxolan-2-yl)heptan-4-ol
CID 116752270

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylthiadiazol-5-yl)-4-(oxolan-2-yl)butan-1-ol?
The IUPAC name of 1-(4-tert-butylthiadiazol-5-yl)-4-(oxolan-2-yl)butan-1-ol (CID 105104849) is 1-(4-tert-butylthiadiazol-5-yl)-4-(oxolan-2-yl)butan-1-ol.
What is the SMILES notation for 1-(4-tert-butylthiadiazol-5-yl)-4-(oxolan-2-yl)butan-1-ol?
The canonical SMILES for 1-(4-tert-butylthiadiazol-5-yl)-4-(oxolan-2-yl)butan-1-ol is CC(C)(C)c1nnsc1C(O)CCCC1CCCO1.
What is the InChIKey of 1-(4-tert-butylthiadiazol-5-yl)-4-(oxolan-2-yl)butan-1-ol?
The InChIKey is KXUXOPBUKUSCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-14(2,3)13-12(19-16-15-13)11(17)8-4-6-10-7-5-9-18-10/h10-11,17H,4-9H2,1-3H3.
What are the key properties of 1-(4-tert-butylthiadiazol-5-yl)-4-(oxolan-2-yl)butan-1-ol?
1-(4-tert-butylthiadiazol-5-yl)-4-(oxolan-2-yl)butan-1-ol has a molecular weight of 284.42 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylthiadiazol-5-yl)-4-(oxolan-2-yl)butan-1-ol is sourced from PubChem (CID 105104849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).