1-(4-ethylthiadiazol-5-yl)-4-(oxolan-2-yl)butan-1-amine

C12H21N3OS — CID 105156525

IUPAC1-(4-ethylthiadiazol-5-yl)-4-(oxolan-2-yl)butan-1-amine
SMILESCCc1nnsc1C(N)CCCC1CCCO1
InChIInChI=1S/C12H21N3OS/c1-2-11-12(17-15-14-11)10(13)7-3-5-9-6-4-8-16-9/h9-10H,2-8,13H2,1H3
InChIKeyMQFGFJLKVKUMHY-UHFFFAOYSA-N
MW255.39 g/mol
LogP2.45
Rot. Bonds6

About 1-(4-ethylthiadiazol-5-yl)-4-(oxolan-2-yl)butan-1-amine

1-(4-ethylthiadiazol-5-yl)-4-(oxolan-2-yl)butan-1-amine (PubChem CID 105156525) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 1-(4-ethylthiadiazol-5-yl)-4-(oxolan-2-yl)butan-1-amine.

Molecular Properties

Compound Name1-(4-ethylthiadiazol-5-yl)-4-(oxolan-2-yl)butan-1-amine
PubChem CID105156525
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name1-(4-ethylthiadiazol-5-yl)-4-(oxolan-2-yl)butan-1-amine
SMILESCCc1nnsc1C(N)CCCC1CCCO1
InChIInChI=1S/C12H21N3OS/c1-2-11-12(17-15-14-11)10(13)7-3-5-9-6-4-8-16-9/h9-10H,2-8,13H2,1H3
InChIKeyMQFGFJLKVKUMHY-UHFFFAOYSA-N
XLogP2.45
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-ethyl-6-methylpyridazin-4-yl)-4-(oxolan-2-yl)butan-1-amine
CID 105156648
1-(4-tert-butylthiadiazol-5-yl)-4-(oxolan-2-yl)butan-1-ol
CID 105104849
1-(4-ethylthiadiazol-5-yl)-3-(oxolan-2-yl)propan-1-one
CID 105107163
2-cyclopropyl-1-(4-ethylthiadiazol-5-yl)ethanamine
CID 105152733
1-(4-methylphenyl)-4-(oxolan-2-yl)butan-1-amine
CID 65166872
4-(oxolan-2-yl)-1-(1,2,5-thiadiazol-3-yl)butan-1-amine
CID 105156646
1-(5-methylfuran-2-yl)-4-(oxolan-2-yl)butan-1-amine
CID 104993129
1-(2-methylsulfanylphenyl)-4-(oxolan-2-yl)butan-1-amine
CID 104993443
1-(4-tert-butylphenyl)-4-(oxolan-2-yl)butan-1-amine
CID 104993395
1-(4-bromothiophen-2-yl)-4-(oxolan-2-yl)butan-1-amine
CID 65164817
1-(2,5-dimethylfuran-3-yl)-4-(oxolan-2-yl)butan-1-amine
CID 104993263
1-(3,4-dimethoxyphenyl)-4-(oxolan-2-yl)butan-1-amine
CID 65167177

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylthiadiazol-5-yl)-4-(oxolan-2-yl)butan-1-amine?
The IUPAC name of 1-(4-ethylthiadiazol-5-yl)-4-(oxolan-2-yl)butan-1-amine (CID 105156525) is 1-(4-ethylthiadiazol-5-yl)-4-(oxolan-2-yl)butan-1-amine.
What is the SMILES notation for 1-(4-ethylthiadiazol-5-yl)-4-(oxolan-2-yl)butan-1-amine?
The canonical SMILES for 1-(4-ethylthiadiazol-5-yl)-4-(oxolan-2-yl)butan-1-amine is CCc1nnsc1C(N)CCCC1CCCO1.
What is the InChIKey of 1-(4-ethylthiadiazol-5-yl)-4-(oxolan-2-yl)butan-1-amine?
The InChIKey is MQFGFJLKVKUMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-2-11-12(17-15-14-11)10(13)7-3-5-9-6-4-8-16-9/h9-10H,2-8,13H2,1H3.
What are the key properties of 1-(4-ethylthiadiazol-5-yl)-4-(oxolan-2-yl)butan-1-amine?
1-(4-ethylthiadiazol-5-yl)-4-(oxolan-2-yl)butan-1-amine has a molecular weight of 255.39 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylthiadiazol-5-yl)-4-(oxolan-2-yl)butan-1-amine is sourced from PubChem (CID 105156525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).