1-(4-tert-butylthiadiazol-5-yl)-2-cyclopropylethanamine

C11H19N3S — CID 105152767

IUPAC1-(4-tert-butylthiadiazol-5-yl)-2-cyclopropylethanamine
SMILESCC(C)(C)c1nnsc1C(N)CC1CC1
InChIInChI=1S/C11H19N3S/c1-11(2,3)10-9(15-14-13-10)8(12)6-7-4-5-7/h7-8H,4-6,12H2,1-3H3
InChIKeyVDPAIJJLJPOGEI-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.64
Rot. Bonds3

About 1-(4-tert-butylthiadiazol-5-yl)-2-cyclopropylethanamine

1-(4-tert-butylthiadiazol-5-yl)-2-cyclopropylethanamine (PubChem CID 105152767) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 1-(4-tert-butylthiadiazol-5-yl)-2-cyclopropylethanamine.

Molecular Properties

Compound Name1-(4-tert-butylthiadiazol-5-yl)-2-cyclopropylethanamine
PubChem CID105152767
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name1-(4-tert-butylthiadiazol-5-yl)-2-cyclopropylethanamine
SMILESCC(C)(C)c1nnsc1C(N)CC1CC1
InChIInChI=1S/C11H19N3S/c1-11(2,3)10-9(15-14-13-10)8(12)6-7-4-5-7/h7-8H,4-6,12H2,1-3H3
InChIKeyVDPAIJJLJPOGEI-UHFFFAOYSA-N
XLogP2.64
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-tert-butylthiadiazol-5-yl)-2-cyclohexylethanamine
CID 105135537
2-cyclopropyl-1-(4-ethylthiadiazol-5-yl)ethanamine
CID 105152733
1-(4-tert-butylthiadiazol-5-yl)pent-4-en-1-amine
CID 105153331
1-(4-tert-butylthiadiazol-5-yl)pentan-1-amine
CID 105125244
2-cyclobutyl-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
CID 105151560
1-(4-tert-butylthiadiazol-5-yl)hex-4-yn-1-amine
CID 105181379
2-cyclobutyl-1-(4-ethylthiadiazol-5-yl)ethanamine
CID 105151524
(4-tert-butylthiadiazol-5-yl)-(3,4-dimethylcyclohexyl)methanamine
CID 105154427
N-[1-(4-tert-butylthiadiazol-5-yl)-2-cyclohexylethyl]propan-1-amine
CID 105135764
1-(4-tert-butylthiadiazol-5-yl)-2-(2,6-difluorophenyl)ethanamine
CID 105190570
1-(4-tert-butylthiadiazol-5-yl)-2-(2-chlorophenyl)ethanamine
CID 105096256
1-(4-tert-butylthiadiazol-5-yl)-2-(2,4-difluorophenyl)ethanamine
CID 105117237

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylthiadiazol-5-yl)-2-cyclopropylethanamine?
The IUPAC name of 1-(4-tert-butylthiadiazol-5-yl)-2-cyclopropylethanamine (CID 105152767) is 1-(4-tert-butylthiadiazol-5-yl)-2-cyclopropylethanamine.
What is the SMILES notation for 1-(4-tert-butylthiadiazol-5-yl)-2-cyclopropylethanamine?
The canonical SMILES for 1-(4-tert-butylthiadiazol-5-yl)-2-cyclopropylethanamine is CC(C)(C)c1nnsc1C(N)CC1CC1.
What is the InChIKey of 1-(4-tert-butylthiadiazol-5-yl)-2-cyclopropylethanamine?
The InChIKey is VDPAIJJLJPOGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-11(2,3)10-9(15-14-13-10)8(12)6-7-4-5-7/h7-8H,4-6,12H2,1-3H3.
What are the key properties of 1-(4-tert-butylthiadiazol-5-yl)-2-cyclopropylethanamine?
1-(4-tert-butylthiadiazol-5-yl)-2-cyclopropylethanamine has a molecular weight of 225.36 g/mol, XLogP of 2.64, 3 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-cyclopropylethanamine is sourced from PubChem (CID 105152767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).