2-[(3-methyl-1,2,4-thiadiazol-5-yl)-propylamino]ethanol

C8H15N3OS — CID 65273273

IUPAC2-[(3-methyl-1,2,4-thiadiazol-5-yl)-propylamino]ethanol
SMILESCCCN(CCO)c1nc(C)ns1
InChIInChI=1S/C8H15N3OS/c1-3-4-11(5-6-12)8-9-7(2)10-13-8/h12H,3-6H2,1-2H3
InChIKeyFHKWHEIVSUYAEP-UHFFFAOYSA-N
MW201.29 g/mol
LogP1.06
Rot. Bonds5

About 2-[(3-methyl-1,2,4-thiadiazol-5-yl)-propylamino]ethanol

2-[(3-methyl-1,2,4-thiadiazol-5-yl)-propylamino]ethanol (PubChem CID 65273273) has the molecular formula C8H15N3OS and a molecular weight of 201.29 g/mol. Its IUPAC name is 2-[(3-methyl-1,2,4-thiadiazol-5-yl)-propylamino]ethanol.

Molecular Properties

Compound Name2-[(3-methyl-1,2,4-thiadiazol-5-yl)-propylamino]ethanol
PubChem CID65273273
Molecular FormulaC8H15N3OS
Molecular Weight201.29 g/mol
Exact Mass201.09
IUPAC Name2-[(3-methyl-1,2,4-thiadiazol-5-yl)-propylamino]ethanol
SMILESCCCN(CCO)c1nc(C)ns1
InChIInChI=1S/C8H15N3OS/c1-3-4-11(5-6-12)8-9-7(2)10-13-8/h12H,3-6H2,1-2H3
InChIKeyFHKWHEIVSUYAEP-UHFFFAOYSA-N
XLogP1.06
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-Ethyl-1,2,4-thiadiazol-5-yl)methanol
CID 67257370
(1-(3-Ethyl-1,2,4-thiadiazol-5-yl)azetidin-3-yl)methanol
CID 65992507
1-[2-Methyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-2-ol
CID 136528487
(2S)-1-[cyclopropyl-(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
CID 164639795
(2R,6S)-2,6-dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine
CID 97009069
3-(methoxymethyl)-N-methyl-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine
CID 75442119
2-[Propan-2-yl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 107305659
2-[Cyclopropyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 107305662
2-[Methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 107305667
2-[Ethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 107305672
3-[Propan-2-yl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol
CID 107305674
2-[2-Hydroxyethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 107305676

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-1,2,4-thiadiazol-5-yl)-propylamino]ethanol?
The IUPAC name of 2-[(3-methyl-1,2,4-thiadiazol-5-yl)-propylamino]ethanol (CID 65273273) is 2-[(3-methyl-1,2,4-thiadiazol-5-yl)-propylamino]ethanol.
What is the SMILES notation for 2-[(3-methyl-1,2,4-thiadiazol-5-yl)-propylamino]ethanol?
The canonical SMILES for 2-[(3-methyl-1,2,4-thiadiazol-5-yl)-propylamino]ethanol is CCCN(CCO)c1nc(C)ns1.
What is the InChIKey of 2-[(3-methyl-1,2,4-thiadiazol-5-yl)-propylamino]ethanol?
The InChIKey is FHKWHEIVSUYAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3OS/c1-3-4-11(5-6-12)8-9-7(2)10-13-8/h12H,3-6H2,1-2H3.
What are the key properties of 2-[(3-methyl-1,2,4-thiadiazol-5-yl)-propylamino]ethanol?
2-[(3-methyl-1,2,4-thiadiazol-5-yl)-propylamino]ethanol has a molecular weight of 201.29 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-1,2,4-thiadiazol-5-yl)-propylamino]ethanol is sourced from PubChem (CID 65273273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).