1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-3-methoxypropan-2-amine

C10H19N3OS — CID 65280781

IUPAC1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-3-methoxypropan-2-amine
SMILESCOCC(N)Cc1nc(C(C)(C)C)ns1
InChIInChI=1S/C10H19N3OS/c1-10(2,3)9-12-8(15-13-9)5-7(11)6-14-4/h7H,5-6,11H2,1-4H3
InChIKeyQPDCKNFUDYYUOC-UHFFFAOYSA-N
MW229.35 g/mol
LogP1.35
Rot. Bonds4

About 1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-3-methoxypropan-2-amine

1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-3-methoxypropan-2-amine (PubChem CID 65280781) has the molecular formula C10H19N3OS and a molecular weight of 229.35 g/mol. Its IUPAC name is 1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-3-methoxypropan-2-amine.

Molecular Properties

Compound Name1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-3-methoxypropan-2-amine
PubChem CID65280781
Molecular FormulaC10H19N3OS
Molecular Weight229.35 g/mol
Exact Mass229.12
IUPAC Name1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-3-methoxypropan-2-amine
SMILESCOCC(N)Cc1nc(C(C)(C)C)ns1
InChIInChI=1S/C10H19N3OS/c1-10(2,3)9-12-8(15-13-9)5-7(11)6-14-4/h7H,5-6,11H2,1-4H3
InChIKeyQPDCKNFUDYYUOC-UHFFFAOYSA-N
XLogP1.35
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-3-methoxypropan-2-amine?
The IUPAC name of 1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-3-methoxypropan-2-amine (CID 65280781) is 1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-3-methoxypropan-2-amine.
What is the SMILES notation for 1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-3-methoxypropan-2-amine?
The canonical SMILES for 1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-3-methoxypropan-2-amine is COCC(N)Cc1nc(C(C)(C)C)ns1.
What is the InChIKey of 1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-3-methoxypropan-2-amine?
The InChIKey is QPDCKNFUDYYUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3OS/c1-10(2,3)9-12-8(15-13-9)5-7(11)6-14-4/h7H,5-6,11H2,1-4H3.
What are the key properties of 1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-3-methoxypropan-2-amine?
1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-3-methoxypropan-2-amine has a molecular weight of 229.35 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-3-methoxypropan-2-amine is sourced from PubChem (CID 65280781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).