cyclopentyl-(4-propan-2-ylthiadiazol-5-yl)methanol

C11H18N2OS — CID 105133985

IUPACcyclopentyl-(4-propan-2-ylthiadiazol-5-yl)methanol
SMILESCC(C)c1nnsc1C(O)C1CCCC1
InChIInChI=1S/C11H18N2OS/c1-7(2)9-11(15-13-12-9)10(14)8-5-3-4-6-8/h7-8,10,14H,3-6H2,1-2H3
InChIKeyOAFGYOWMWBEKRO-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.89
Rot. Bonds3

About cyclopentyl-(4-propan-2-ylthiadiazol-5-yl)methanol

cyclopentyl-(4-propan-2-ylthiadiazol-5-yl)methanol (PubChem CID 105133985) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is cyclopentyl-(4-propan-2-ylthiadiazol-5-yl)methanol.

Molecular Properties

Compound Namecyclopentyl-(4-propan-2-ylthiadiazol-5-yl)methanol
PubChem CID105133985
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Namecyclopentyl-(4-propan-2-ylthiadiazol-5-yl)methanol
SMILESCC(C)c1nnsc1C(O)C1CCCC1
InChIInChI=1S/C11H18N2OS/c1-7(2)9-11(15-13-12-9)10(14)8-5-3-4-6-8/h7-8,10,14H,3-6H2,1-2H3
InChIKeyOAFGYOWMWBEKRO-UHFFFAOYSA-N
XLogP2.89
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cyclohexyl-(4-propan-2-ylthiadiazol-5-yl)methanol
CID 105100605
[2-cyclopentyl-1-(4-propan-2-ylthiadiazol-5-yl)ethyl]hydrazine
CID 105299179
(3-methylcyclohexyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine
CID 105155822
[2-cyclopropyl-1-(4-propan-2-ylthiadiazol-5-yl)ethyl]hydrazine
CID 105311175
2-methoxy-1-(4-propan-2-ylthiadiazol-5-yl)ethanol
CID 105112129
cycloheptyl-(4-propan-2-ylthiadiazol-5-yl)methanone
CID 105125018
1-(4-propan-2-ylthiadiazol-5-yl)hexan-1-ol
CID 105086118
(3,4-dimethylcyclohexyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine
CID 105154428
(3,5-dimethylcyclohexyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine
CID 105154182
[3-cyclopropyl-1-(4-propan-2-ylthiadiazol-5-yl)propyl]hydrazine
CID 105315237
2-cyclopentyl-1-(4-propylthiadiazol-5-yl)ethanol
CID 105090417
N-cyclopropyl-4-propan-2-ylthiadiazole-5-carboxamide
CID 65204623

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-(4-propan-2-ylthiadiazol-5-yl)methanol?
The IUPAC name of cyclopentyl-(4-propan-2-ylthiadiazol-5-yl)methanol (CID 105133985) is cyclopentyl-(4-propan-2-ylthiadiazol-5-yl)methanol.
What is the SMILES notation for cyclopentyl-(4-propan-2-ylthiadiazol-5-yl)methanol?
The canonical SMILES for cyclopentyl-(4-propan-2-ylthiadiazol-5-yl)methanol is CC(C)c1nnsc1C(O)C1CCCC1.
What is the InChIKey of cyclopentyl-(4-propan-2-ylthiadiazol-5-yl)methanol?
The InChIKey is OAFGYOWMWBEKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-7(2)9-11(15-13-12-9)10(14)8-5-3-4-6-8/h7-8,10,14H,3-6H2,1-2H3.
What are the key properties of cyclopentyl-(4-propan-2-ylthiadiazol-5-yl)methanol?
cyclopentyl-(4-propan-2-ylthiadiazol-5-yl)methanol has a molecular weight of 226.34 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-(4-propan-2-ylthiadiazol-5-yl)methanol is sourced from PubChem (CID 105133985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).