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

C8H15N3OS — CID 65273151

IUPAC2-[(3-methyl-1,2,4-thiadiazol-5-yl)-propan-2-ylamino]ethanol
SMILESCc1nsc(N(CCO)C(C)C)n1
InChIInChI=1S/C8H15N3OS/c1-6(2)11(4-5-12)8-9-7(3)10-13-8/h6,12H,4-5H2,1-3H3
InChIKeyAYYXUTWODMUOGZ-UHFFFAOYSA-N
MW201.29 g/mol
LogP1.05
Rot. Bonds4

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

2-[(3-methyl-1,2,4-thiadiazol-5-yl)-propan-2-ylamino]ethanol (PubChem CID 65273151) 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)-propan-2-ylamino]ethanol.

Molecular Properties

Compound Name2-[(3-methyl-1,2,4-thiadiazol-5-yl)-propan-2-ylamino]ethanol
PubChem CID65273151
Molecular FormulaC8H15N3OS
Molecular Weight201.29 g/mol
Exact Mass201.09
IUPAC Name2-[(3-methyl-1,2,4-thiadiazol-5-yl)-propan-2-ylamino]ethanol
SMILESCc1nsc(N(CCO)C(C)C)n1
InChIInChI=1S/C8H15N3OS/c1-6(2)11(4-5-12)8-9-7(3)10-13-8/h6,12H,4-5H2,1-3H3
InChIKeyAYYXUTWODMUOGZ-UHFFFAOYSA-N
XLogP1.05
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 ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-4-(3-ethyl-1,2,4-thiadiazol-5-yl)-3-methylmorpholine
CID 97059887
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
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-[Propyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 107305679
2-[Butyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 107305680
2-[Pentan-3-yl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 107305683
2-[Methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol
CID 107305729

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-1,2,4-thiadiazol-5-yl)-propan-2-ylamino]ethanol?
The IUPAC name of 2-[(3-methyl-1,2,4-thiadiazol-5-yl)-propan-2-ylamino]ethanol (CID 65273151) is 2-[(3-methyl-1,2,4-thiadiazol-5-yl)-propan-2-ylamino]ethanol.
What is the SMILES notation for 2-[(3-methyl-1,2,4-thiadiazol-5-yl)-propan-2-ylamino]ethanol?
The canonical SMILES for 2-[(3-methyl-1,2,4-thiadiazol-5-yl)-propan-2-ylamino]ethanol is Cc1nsc(N(CCO)C(C)C)n1.
What is the InChIKey of 2-[(3-methyl-1,2,4-thiadiazol-5-yl)-propan-2-ylamino]ethanol?
The InChIKey is AYYXUTWODMUOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3OS/c1-6(2)11(4-5-12)8-9-7(3)10-13-8/h6,12H,4-5H2,1-3H3.
What are the key properties of 2-[(3-methyl-1,2,4-thiadiazol-5-yl)-propan-2-ylamino]ethanol?
2-[(3-methyl-1,2,4-thiadiazol-5-yl)-propan-2-ylamino]ethanol has a molecular weight of 201.29 g/mol, XLogP of 1.05, 4 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)-propan-2-ylamino]ethanol is sourced from PubChem (CID 65273151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).