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

C12H19N3OS — CID 133496128

IUPAC2-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]cyclopentyl]ethanol
SMILESOCCC1CCCC1Nc1nc(C2CC2)ns1
InChIInChI=1S/C12H19N3OS/c16-7-6-8-2-1-3-10(8)13-12-14-11(15-17-12)9-4-5-9/h8-10,16H,1-7H2,(H,13,14,15)
InChIKeyAGOGPIFCFRDBJO-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.38
Rot. Bonds5

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

2-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]cyclopentyl]ethanol (PubChem CID 133496128) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]cyclopentyl]ethanol.

Molecular Properties

Compound Name2-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]cyclopentyl]ethanol
PubChem CID133496128
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name2-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]cyclopentyl]ethanol
SMILESOCCC1CCCC1Nc1nc(C2CC2)ns1
InChIInChI=1S/C12H19N3OS/c16-7-6-8-2-1-3-10(8)13-12-14-11(15-17-12)9-4-5-9/h8-10,16H,1-7H2,(H,13,14,15)
InChIKeyAGOGPIFCFRDBJO-UHFFFAOYSA-N
XLogP2.38
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(1R,2R)-2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]cyclopropyl]methanol
CID 130758092
[(1R,2R)-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]cyclopentyl]methanol
CID 99846980
2-[2-(1,3-benzothiazol-2-ylamino)cyclopentyl]ethanol
CID 133496116
3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-3-methylbutan-1-ol
CID 115886077
N-cyclopropyl-3-(4-propylcyclohexyl)-1,2,4-thiadiazol-5-amine
CID 65400997
1-N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-methylpropane-1,2-diamine
CID 115303698
3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-3-methylpentan-1-ol
CID 103894661
3-cyclobutyl-N-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65268424
(2S)-2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-3-methylbutan-1-ol
CID 79245937
2-[2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)amino]cyclopentyl]ethanol
CID 133496458
1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-[(1R,2R,4R,5R)-5-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]urea
CID 154869840
N-tert-butyl-3-cyclopropyl-1,2,4-thiadiazol-5-amine
CID 65268446

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]cyclopentyl]ethanol?
The IUPAC name of 2-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]cyclopentyl]ethanol (CID 133496128) is 2-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]cyclopentyl]ethanol.
What is the SMILES notation for 2-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]cyclopentyl]ethanol?
The canonical SMILES for 2-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]cyclopentyl]ethanol is OCCC1CCCC1Nc1nc(C2CC2)ns1.
What is the InChIKey of 2-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]cyclopentyl]ethanol?
The InChIKey is AGOGPIFCFRDBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c16-7-6-8-2-1-3-10(8)13-12-14-11(15-17-12)9-4-5-9/h8-10,16H,1-7H2,(H,13,14,15).
What are the key properties of 2-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]cyclopentyl]ethanol?
2-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]cyclopentyl]ethanol has a molecular weight of 253.37 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]cyclopentyl]ethanol is sourced from PubChem (CID 133496128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).