1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-ethylamino]-2-methylpropan-2-ol

C11H19N3OS — CID 79389601

IUPAC1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-ethylamino]-2-methylpropan-2-ol
SMILESCCN(CC(C)(C)O)c1nc(C2CC2)ns1
InChIInChI=1S/C11H19N3OS/c1-4-14(7-11(2,3)15)10-12-9(13-16-10)8-5-6-8/h8,15H,4-7H2,1-3H3
InChIKeyBKUQVXJBKJFFFC-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.01
Rot. Bonds5

About 1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-ethylamino]-2-methylpropan-2-ol

1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-ethylamino]-2-methylpropan-2-ol (PubChem CID 79389601) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-ethylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-ethylamino]-2-methylpropan-2-ol
PubChem CID79389601
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-ethylamino]-2-methylpropan-2-ol
SMILESCCN(CC(C)(C)O)c1nc(C2CC2)ns1
InChIInChI=1S/C11H19N3OS/c1-4-14(7-11(2,3)15)10-12-9(13-16-10)8-5-6-8/h8,15H,4-7H2,1-3H3
InChIKeyBKUQVXJBKJFFFC-UHFFFAOYSA-N
XLogP2.01
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-ethylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-ethylamino]-2-methylpropan-2-ol (CID 79389601) is 1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-ethylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-ethylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-ethylamino]-2-methylpropan-2-ol is CCN(CC(C)(C)O)c1nc(C2CC2)ns1.
What is the InChIKey of 1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-ethylamino]-2-methylpropan-2-ol?
The InChIKey is BKUQVXJBKJFFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-4-14(7-11(2,3)15)10-12-9(13-16-10)8-5-6-8/h8,15H,4-7H2,1-3H3.
What are the key properties of 1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-ethylamino]-2-methylpropan-2-ol?
1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-ethylamino]-2-methylpropan-2-ol has a molecular weight of 241.36 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-ethylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 79389601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).