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

C11H19N3OS — CID 65275113

IUPAC2-[butyl-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethanol
SMILESCCCCN(CCO)c1nc(C2CC2)ns1
InChIInChI=1S/C11H19N3OS/c1-2-3-6-14(7-8-15)11-12-10(13-16-11)9-4-5-9/h9,15H,2-8H2,1H3
InChIKeyUCPQTXCLBBLUKM-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.01
Rot. Bonds7

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

2-[butyl-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethanol (PubChem CID 65275113) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 2-[butyl-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethanol.

Molecular Properties

Compound Name2-[butyl-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethanol
PubChem CID65275113
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name2-[butyl-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethanol
SMILESCCCCN(CCO)c1nc(C2CC2)ns1
InChIInChI=1S/C11H19N3OS/c1-2-3-6-14(7-8-15)11-12-10(13-16-11)9-4-5-9/h9,15H,2-8H2,1H3
InChIKeyUCPQTXCLBBLUKM-UHFFFAOYSA-N
XLogP2.01
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[cyclobutyl-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethanol
CID 102675252
N-(2-chloroethyl)-3-cyclopropyl-N-ethyl-1,2,4-thiadiazol-5-amine
CID 65277512
2-[butyl-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 80961851
N-(azetidin-3-yl)-3-cyclopropyl-N-propyl-1,2,4-thiadiazol-5-amine
CID 66213937
3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-(2-methoxyethyl)amino]propanenitrile
CID 65272048
4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]butanoic acid
CID 65272940
3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-(2-hydroxyethyl)amino]propan-1-ol
CID 71860365
4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]butan-2-ol
CID 115681060
N,3-dicyclopropyl-N-methyl-1,2,4-thiadiazol-5-amine
CID 131179833
N'-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107494312
1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]-3-methoxypropan-2-ol
CID 65275225
N-(2-chloroethyl)-N-cyclobutyl-3-cyclopropyl-1,2,4-thiadiazol-5-amine
CID 102871748

Frequently Asked Questions

What is the IUPAC name of 2-[butyl-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethanol?
The IUPAC name of 2-[butyl-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethanol (CID 65275113) is 2-[butyl-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethanol.
What is the SMILES notation for 2-[butyl-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethanol?
The canonical SMILES for 2-[butyl-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethanol is CCCCN(CCO)c1nc(C2CC2)ns1.
What is the InChIKey of 2-[butyl-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethanol?
The InChIKey is UCPQTXCLBBLUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-2-3-6-14(7-8-15)11-12-10(13-16-11)9-4-5-9/h9,15H,2-8H2,1H3.
What are the key properties of 2-[butyl-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethanol?
2-[butyl-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethanol has a molecular weight of 241.36 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethanol is sourced from PubChem (CID 65275113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).