2-phenyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethanol

C13H17N3OS — CID 65274322

IUPAC2-phenyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethanol
SMILESCCCc1nsc(NC(CO)c2ccccc2)n1
InChIInChI=1S/C13H17N3OS/c1-2-6-12-15-13(18-16-12)14-11(9-17)10-7-4-3-5-8-10/h3-5,7-8,11,17H,2,6,9H2,1H3,(H,14,15,16)
InChIKeyLMAQLDAXUDKIEU-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.64
Rot. Bonds6

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

2-phenyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethanol (PubChem CID 65274322) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 2-phenyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethanol.

Molecular Properties

Compound Name2-phenyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethanol
PubChem CID65274322
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name2-phenyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethanol
SMILESCCCc1nsc(NC(CO)c2ccccc2)n1
InChIInChI=1S/C13H17N3OS/c1-2-6-12-15-13(18-16-12)14-11(9-17)10-7-4-3-5-8-10/h3-5,7-8,11,17H,2,6,9H2,1H3,(H,14,15,16)
InChIKeyLMAQLDAXUDKIEU-UHFFFAOYSA-N
XLogP2.64
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chloro-1-phenylethyl)-3-propyl-1,2,4-thiadiazol-5-amine
CID 65277700
(2S)-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanoic acid
CID 122049343
4-[[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]amino]-4-phenylbutan-1-ol
CID 126774023
2-phenyl-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethanol
CID 133371204
3-propyl-N-(1-thiophen-2-ylethyl)-1,2,4-thiadiazol-5-amine
CID 65271045
2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-phenylethanol
CID 64982613
2-[[6-(ethylamino)-2-pyridinyl]amino]-2-phenylethanol
CID 80827704
(2S,3S)-3-methyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]pentanoic acid
CID 122050568
4-methyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]pentanoic acid
CID 65270819
ethyl 2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanoate
CID 65276553
2-phenyl-2-[(6-propylpyrimidin-4-yl)amino]ethanol
CID 55157881
1-N,1-N-diethyl-2-N-(3-propyl-1,2,4-thiadiazol-5-yl)propane-1,2-diamine
CID 65276800

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethanol?
The IUPAC name of 2-phenyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethanol (CID 65274322) is 2-phenyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethanol.
What is the SMILES notation for 2-phenyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethanol?
The canonical SMILES for 2-phenyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethanol is CCCc1nsc(NC(CO)c2ccccc2)n1.
What is the InChIKey of 2-phenyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethanol?
The InChIKey is LMAQLDAXUDKIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-2-6-12-15-13(18-16-12)14-11(9-17)10-7-4-3-5-8-10/h3-5,7-8,11,17H,2,6,9H2,1H3,(H,14,15,16).
What are the key properties of 2-phenyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethanol?
2-phenyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethanol has a molecular weight of 263.37 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethanol is sourced from PubChem (CID 65274322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).