2-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-1-cyclopropyl-N-methylethanamine

C12H21N3S — CID 65280062

IUPAC2-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-1-cyclopropyl-N-methylethanamine
SMILESCNC(Cc1nc(C(C)(C)C)ns1)C1CC1
InChIInChI=1S/C12H21N3S/c1-12(2,3)11-14-10(16-15-11)7-9(13-4)8-5-6-8/h8-9,13H,5-7H2,1-4H3
InChIKeyJTKUWYXDBJTTCF-UHFFFAOYSA-N
MW239.39 g/mol
LogP2.38
Rot. Bonds4

About 2-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-1-cyclopropyl-N-methylethanamine

2-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-1-cyclopropyl-N-methylethanamine (PubChem CID 65280062) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 2-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-1-cyclopropyl-N-methylethanamine.

Molecular Properties

Compound Name2-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-1-cyclopropyl-N-methylethanamine
PubChem CID65280062
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name2-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-1-cyclopropyl-N-methylethanamine
SMILESCNC(Cc1nc(C(C)(C)C)ns1)C1CC1
InChIInChI=1S/C12H21N3S/c1-12(2,3)11-14-10(16-15-11)7-9(13-4)8-5-6-8/h8-9,13H,5-7H2,1-4H3
InChIKeyJTKUWYXDBJTTCF-UHFFFAOYSA-N
XLogP2.38
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-N-methylbutan-2-amine
CID 65279940
3-tert-butyl-N-(1-cyclopropyl-2-methoxyethyl)-1,2,4-thiadiazol-5-amine
CID 133495081
1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-3-methoxypropan-2-amine
CID 65280781
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-ethylcyclopentyl)-N-methylethanamine
CID 79817385
1-(3-bicyclo[3.1.0]hexanyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)-N-methylethanamine
CID 105015850
4-N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-1-N-methylcyclohexane-1,4-diamine
CID 79111015
N-[(2-aminocyclohexyl)methyl]-3-tert-butyl-1,2,4-thiadiazol-5-amine
CID 65278010
1-(6-bicyclo[3.1.0]hexanyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)-N-methylethanamine
CID 105015844
1-cyclopropyl-2-(3-methyl-1,2,4-thiadiazol-5-yl)ethanamine
CID 65273347
3-tert-butyl-N-piperidin-3-yl-1,2,4-thiadiazol-5-amine
CID 65275948
1-cyclopropyl-2-(3-propyl-1,2,4-thiadiazol-5-yl)ethanol
CID 65280498
1-cyclopropyl-N-methylpropan-1-amine
CID 20693438

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-1-cyclopropyl-N-methylethanamine?
The IUPAC name of 2-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-1-cyclopropyl-N-methylethanamine (CID 65280062) is 2-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-1-cyclopropyl-N-methylethanamine.
What is the SMILES notation for 2-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-1-cyclopropyl-N-methylethanamine?
The canonical SMILES for 2-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-1-cyclopropyl-N-methylethanamine is CNC(Cc1nc(C(C)(C)C)ns1)C1CC1.
What is the InChIKey of 2-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-1-cyclopropyl-N-methylethanamine?
The InChIKey is JTKUWYXDBJTTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-12(2,3)11-14-10(16-15-11)7-9(13-4)8-5-6-8/h8-9,13H,5-7H2,1-4H3.
What are the key properties of 2-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-1-cyclopropyl-N-methylethanamine?
2-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-1-cyclopropyl-N-methylethanamine has a molecular weight of 239.39 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-1-cyclopropyl-N-methylethanamine is sourced from PubChem (CID 65280062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).