1-[ethyl(1,2,4-thiadiazol-5-yl)amino]-2-methylpropan-2-ol

C8H15N3OS — CID 79390166

IUPAC1-[ethyl(1,2,4-thiadiazol-5-yl)amino]-2-methylpropan-2-ol
SMILESCCN(CC(C)(C)O)c1ncns1
InChIInChI=1S/C8H15N3OS/c1-4-11(5-8(2,3)12)7-9-6-10-13-7/h6,12H,4-5H2,1-3H3
InChIKeyCUCYTAQDKUKSOB-UHFFFAOYSA-N
MW201.29 g/mol
LogP1.14
Rot. Bonds4

About 1-[ethyl(1,2,4-thiadiazol-5-yl)amino]-2-methylpropan-2-ol

1-[ethyl(1,2,4-thiadiazol-5-yl)amino]-2-methylpropan-2-ol (PubChem CID 79390166) has the molecular formula C8H15N3OS and a molecular weight of 201.29 g/mol. Its IUPAC name is 1-[ethyl(1,2,4-thiadiazol-5-yl)amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[ethyl(1,2,4-thiadiazol-5-yl)amino]-2-methylpropan-2-ol
PubChem CID79390166
Molecular FormulaC8H15N3OS
Molecular Weight201.29 g/mol
Exact Mass201.09
IUPAC Name1-[ethyl(1,2,4-thiadiazol-5-yl)amino]-2-methylpropan-2-ol
SMILESCCN(CC(C)(C)O)c1ncns1
InChIInChI=1S/C8H15N3OS/c1-4-11(5-8(2,3)12)7-9-6-10-13-7/h6,12H,4-5H2,1-3H3
InChIKeyCUCYTAQDKUKSOB-UHFFFAOYSA-N
XLogP1.14
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[ethyl(1,2,4-thiadiazol-5-yl)amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[ethyl(1,2,4-thiadiazol-5-yl)amino]-2-methylpropan-2-ol (CID 79390166) is 1-[ethyl(1,2,4-thiadiazol-5-yl)amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[ethyl(1,2,4-thiadiazol-5-yl)amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[ethyl(1,2,4-thiadiazol-5-yl)amino]-2-methylpropan-2-ol is CCN(CC(C)(C)O)c1ncns1.
What is the InChIKey of 1-[ethyl(1,2,4-thiadiazol-5-yl)amino]-2-methylpropan-2-ol?
The InChIKey is CUCYTAQDKUKSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3OS/c1-4-11(5-8(2,3)12)7-9-6-10-13-7/h6,12H,4-5H2,1-3H3.
What are the key properties of 1-[ethyl(1,2,4-thiadiazol-5-yl)amino]-2-methylpropan-2-ol?
1-[ethyl(1,2,4-thiadiazol-5-yl)amino]-2-methylpropan-2-ol has a molecular weight of 201.29 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(1,2,4-thiadiazol-5-yl)amino]-2-methylpropan-2-ol is sourced from PubChem (CID 79390166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).