[1-[[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentyl]methanol

C11H19N3OS — CID 115360719

IUPAC[1-[[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentyl]methanol
SMILESCCc1nsc(NCC2(CO)CCCC2)n1
InChIInChI=1S/C11H19N3OS/c1-2-9-13-10(16-14-9)12-7-11(8-15)5-3-4-6-11/h15H,2-8H2,1H3,(H,12,13,14)
InChIKeyAFCGKUVGYAOZQR-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.07
Rot. Bonds5

About [1-[[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentyl]methanol

[1-[[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentyl]methanol (PubChem CID 115360719) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is [1-[[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentyl]methanol
PubChem CID115360719
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name[1-[[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentyl]methanol
SMILESCCc1nsc(NCC2(CO)CCCC2)n1
InChIInChI=1S/C11H19N3OS/c1-2-9-13-10(16-14-9)12-7-11(8-15)5-3-4-6-11/h15H,2-8H2,1H3,(H,12,13,14)
InChIKeyAFCGKUVGYAOZQR-UHFFFAOYSA-N
XLogP2.07
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentyl]methanol
CID 115360758
[1-[[(3-amino-1,2,4-thiadiazol-5-yl)amino]methyl]cyclohexyl]methanol
CID 103968588
[1-[[(4-ethyl-1,3-thiazol-2-yl)amino]methyl]cyclopentyl]methanol
CID 115360729
N-[(1-cyclopropylcyclopropyl)methyl]-3-ethyl-1,2,4-thiadiazol-5-amine
CID 103837652
2-[1-[[(3-propyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopropyl]ethanol
CID 114757150
[1-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]cyclobutyl]methanol
CID 115886146
4-[[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]methyl]oxane-4-carboxylic acid
CID 115438822
[1-[[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol
CID 115366345
[4-[[[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]amino]methyl]oxan-4-yl]methanol
CID 122565094
[1-[[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
CID 103968794
2-[1-[[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclohexyl]acetic acid
CID 65270509
[1-[[(4-methyl-1,3-thiazol-2-yl)amino]methyl]cyclopropyl]methanol
CID 115455218

Frequently Asked Questions

What is the IUPAC name of [1-[[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentyl]methanol?
The IUPAC name of [1-[[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentyl]methanol (CID 115360719) is [1-[[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentyl]methanol.
What is the SMILES notation for [1-[[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentyl]methanol?
The canonical SMILES for [1-[[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentyl]methanol is CCc1nsc(NCC2(CO)CCCC2)n1.
What is the InChIKey of [1-[[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentyl]methanol?
The InChIKey is AFCGKUVGYAOZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-2-9-13-10(16-14-9)12-7-11(8-15)5-3-4-6-11/h15H,2-8H2,1H3,(H,12,13,14).
What are the key properties of [1-[[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentyl]methanol?
[1-[[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentyl]methanol has a molecular weight of 241.36 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentyl]methanol is sourced from PubChem (CID 115360719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).