1-(3-ethyl-1,2,4-thiadiazol-5-yl)pentan-2-ol

C9H16N2OS — CID 65280066

IUPAC1-(3-ethyl-1,2,4-thiadiazol-5-yl)pentan-2-ol
SMILESCCCC(O)Cc1nc(CC)ns1
InChIInChI=1S/C9H16N2OS/c1-3-5-7(12)6-9-10-8(4-2)11-13-9/h7,12H,3-6H2,1-2H3
InChIKeyTXFKCMFDSZXKTK-UHFFFAOYSA-N
MW200.31 g/mol
LogP1.80
Rot. Bonds5

About 1-(3-ethyl-1,2,4-thiadiazol-5-yl)pentan-2-ol

1-(3-ethyl-1,2,4-thiadiazol-5-yl)pentan-2-ol (PubChem CID 65280066) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is 1-(3-ethyl-1,2,4-thiadiazol-5-yl)pentan-2-ol.

Molecular Properties

Compound Name1-(3-ethyl-1,2,4-thiadiazol-5-yl)pentan-2-ol
PubChem CID65280066
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC Name1-(3-ethyl-1,2,4-thiadiazol-5-yl)pentan-2-ol
SMILESCCCC(O)Cc1nc(CC)ns1
InChIInChI=1S/C9H16N2OS/c1-3-5-7(12)6-9-10-8(4-2)11-13-9/h7,12H,3-6H2,1-2H3
InChIKeyTXFKCMFDSZXKTK-UHFFFAOYSA-N
XLogP1.80
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-ethyl-1,2,4-thiadiazol-5-yl)propan-2-amine
CID 65280169
1-(3-ethyl-1,2,4-thiadiazol-5-yl)butan-2-amine
CID 65280536
3-methyl-1-(3-propyl-1,2,4-thiadiazol-5-yl)butan-2-ol
CID 65280373
1-(3-ethyl-1,2,4-thiadiazol-5-yl)-3,3-dimethylbutan-2-amine
CID 65280352
1-cyclopropyl-2-(3-propyl-1,2,4-thiadiazol-5-yl)ethanol
CID 65280498
2-(3-ethyl-1,2,4-thiadiazol-5-yl)-1-phenylethanamine
CID 65280107
2-(3-ethyl-1,2,4-thiadiazol-5-yl)ethanamine
CID 65280810
1-[4-(2-hydroxypentyl)-6-pentyl-1,3,5-triazin-2-yl]pentan-2-ol
CID 67042033
1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pentan-2-amine
CID 65280231
hexan-3-ol;λ2-plumbane
CID 174675580
2-[5-(2-methylpropyl)-1,2,4-thiadiazol-3-yl]ethanamine
CID 82406035
1-(1,3-thiazol-2-yl)hexan-2-ol
CID 79824098

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1,2,4-thiadiazol-5-yl)pentan-2-ol?
The IUPAC name of 1-(3-ethyl-1,2,4-thiadiazol-5-yl)pentan-2-ol (CID 65280066) is 1-(3-ethyl-1,2,4-thiadiazol-5-yl)pentan-2-ol.
What is the SMILES notation for 1-(3-ethyl-1,2,4-thiadiazol-5-yl)pentan-2-ol?
The canonical SMILES for 1-(3-ethyl-1,2,4-thiadiazol-5-yl)pentan-2-ol is CCCC(O)Cc1nc(CC)ns1.
What is the InChIKey of 1-(3-ethyl-1,2,4-thiadiazol-5-yl)pentan-2-ol?
The InChIKey is TXFKCMFDSZXKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS/c1-3-5-7(12)6-9-10-8(4-2)11-13-9/h7,12H,3-6H2,1-2H3.
What are the key properties of 1-(3-ethyl-1,2,4-thiadiazol-5-yl)pentan-2-ol?
1-(3-ethyl-1,2,4-thiadiazol-5-yl)pentan-2-ol has a molecular weight of 200.31 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1,2,4-thiadiazol-5-yl)pentan-2-ol is sourced from PubChem (CID 65280066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).