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

C9H15N3OS — CID 115886146

IUPAC[1-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]cyclobutyl]methanol
SMILESCCc1nsc(NC2(CO)CCC2)n1
InChIInChI=1S/C9H15N3OS/c1-2-7-10-8(14-12-7)11-9(6-13)4-3-5-9/h13H,2-6H2,1H3,(H,10,11,12)
InChIKeyHTQCSYYPHMNLQY-UHFFFAOYSA-N
MW213.31 g/mol
LogP1.43
Rot. Bonds4

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

[1-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]cyclobutyl]methanol (PubChem CID 115886146) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is [1-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]cyclobutyl]methanol.

Molecular Properties

Compound Name[1-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]cyclobutyl]methanol
PubChem CID115886146
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name[1-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]cyclobutyl]methanol
SMILESCCc1nsc(NC2(CO)CCC2)n1
InChIInChI=1S/C9H15N3OS/c1-2-7-10-8(14-12-7)11-9(6-13)4-3-5-9/h13H,2-6H2,1H3,(H,10,11,12)
InChIKeyHTQCSYYPHMNLQY-UHFFFAOYSA-N
XLogP1.43
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]cyclohexyl]methanol
CID 65276919
[1-[[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentyl]methanol
CID 115360719
1-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]cyclobutane-1-carboxylic acid
CID 81165137
[1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]cyclopentyl]methanol
CID 65209440
[4-[(3-amino-1,2,4-thiadiazol-5-yl)amino]oxan-4-yl]methanol
CID 106301087
[1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]cyclohexyl]methanol
CID 65209442
2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]cyclohexane-1-carboxylic acid
CID 65270845
[1-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]cyclobutyl]methanol
CID 114448761
N-[(1-cyclopropylcyclopropyl)methyl]-3-ethyl-1,2,4-thiadiazol-5-amine
CID 103837652
[1-[(4,6-dimethylpyrimidin-2-yl)amino]cyclobutyl]methanol
CID 115774262
4-[[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]methyl]oxane-4-carboxylic acid
CID 115438822
3-ethyl-N-(2-ethylcyclopropyl)-1,2,4-thiadiazol-5-amine
CID 103736542

Frequently Asked Questions

What is the IUPAC name of [1-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]cyclobutyl]methanol?
The IUPAC name of [1-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]cyclobutyl]methanol (CID 115886146) is [1-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]cyclobutyl]methanol.
What is the SMILES notation for [1-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]cyclobutyl]methanol?
The canonical SMILES for [1-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]cyclobutyl]methanol is CCc1nsc(NC2(CO)CCC2)n1.
What is the InChIKey of [1-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]cyclobutyl]methanol?
The InChIKey is HTQCSYYPHMNLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-2-7-10-8(14-12-7)11-9(6-13)4-3-5-9/h13H,2-6H2,1H3,(H,10,11,12).
What are the key properties of [1-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]cyclobutyl]methanol?
[1-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]cyclobutyl]methanol has a molecular weight of 213.31 g/mol, XLogP of 1.43, 4 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]cyclobutyl]methanol is sourced from PubChem (CID 115886146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).