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

C8H13N3OS — CID 65268334

IUPAC1-cyclopropyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol
SMILESCc1nsc(NCC(O)C2CC2)n1
InChIInChI=1S/C8H13N3OS/c1-5-10-8(13-11-5)9-4-7(12)6-2-3-6/h6-7,12H,2-4H2,1H3,(H,9,10,11)
InChIKeyHAYHXPVGDFTALP-UHFFFAOYSA-N
MW199.28 g/mol
LogP1.03
Rot. Bonds4

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

1-cyclopropyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol (PubChem CID 65268334) has the molecular formula C8H13N3OS and a molecular weight of 199.28 g/mol. Its IUPAC name is 1-cyclopropyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol.

Molecular Properties

Compound Name1-cyclopropyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol
PubChem CID65268334
Molecular FormulaC8H13N3OS
Molecular Weight199.28 g/mol
Exact Mass199.08
IUPAC Name1-cyclopropyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol
SMILESCc1nsc(NCC(O)C2CC2)n1
InChIInChI=1S/C8H13N3OS/c1-5-10-8(13-11-5)9-4-7(12)6-2-3-6/h6-7,12H,2-4H2,1H3,(H,9,10,11)
InChIKeyHAYHXPVGDFTALP-UHFFFAOYSA-N
XLogP1.03
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol?
The IUPAC name of 1-cyclopropyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol (CID 65268334) is 1-cyclopropyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol.
What is the SMILES notation for 1-cyclopropyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol?
The canonical SMILES for 1-cyclopropyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol is Cc1nsc(NCC(O)C2CC2)n1.
What is the InChIKey of 1-cyclopropyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol?
The InChIKey is HAYHXPVGDFTALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS/c1-5-10-8(13-11-5)9-4-7(12)6-2-3-6/h6-7,12H,2-4H2,1H3,(H,9,10,11).
What are the key properties of 1-cyclopropyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol?
1-cyclopropyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol has a molecular weight of 199.28 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol is sourced from PubChem (CID 65268334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).