1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)butan-1-ol

C11H13N3OS — CID 130412460

IUPAC1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)butan-1-ol
SMILESCCCC(O)c1nnc(-c2ccccn2)s1
InChIInChI=1S/C11H13N3OS/c1-2-5-9(15)11-14-13-10(16-11)8-6-3-4-7-12-8/h3-4,6-7,9,15H,2,5H2,1H3
InChIKeyBZNSEZOIXXSNIF-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.43
Rot. Bonds4

About 1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)butan-1-ol

1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)butan-1-ol (PubChem CID 130412460) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)butan-1-ol.

Molecular Properties

Compound Name1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)butan-1-ol
PubChem CID130412460
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)butan-1-ol
SMILESCCCC(O)c1nnc(-c2ccccn2)s1
InChIInChI=1S/C11H13N3OS/c1-2-5-9(15)11-14-13-10(16-11)8-6-3-4-7-12-8/h3-4,6-7,9,15H,2,5H2,1H3
InChIKeyBZNSEZOIXXSNIF-UHFFFAOYSA-N
XLogP2.43
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methylpentan-3-yl)-5-pyridin-2-yl-1,3,4-thiadiazole
CID 123183756
2-ethyl-5-pyridin-2-yl-1,3,4-thiadiazole
CID 101460116
(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)methanol
CID 58504238
N-[5-amino-1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pentyl]acetamide
CID 142574787
(2S)-2-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]hexanoic acid
CID 122062814
N-ethyl-N-(2-methylprop-2-enyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 133467966
4-methyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pentanamide
CID 47251913
N-methyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
CID 654941
2-fluoro-5-pyridin-2-yl-1,3,4-thiadiazole
CID 135397065
N-[2-[4-(aminomethyl)phenyl]-1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)ethyl]acetamide
CID 138586426
3-[[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]methyl]pentan-3-ol
CID 133442973
(2R)-1-[4-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]propan-2-ol
CID 133486328

Frequently Asked Questions

What is the IUPAC name of 1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)butan-1-ol?
The IUPAC name of 1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)butan-1-ol (CID 130412460) is 1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)butan-1-ol.
What is the SMILES notation for 1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)butan-1-ol?
The canonical SMILES for 1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)butan-1-ol is CCCC(O)c1nnc(-c2ccccn2)s1.
What is the InChIKey of 1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)butan-1-ol?
The InChIKey is BZNSEZOIXXSNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-2-5-9(15)11-14-13-10(16-11)8-6-3-4-7-12-8/h3-4,6-7,9,15H,2,5H2,1H3.
What are the key properties of 1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)butan-1-ol?
1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)butan-1-ol has a molecular weight of 235.31 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)butan-1-ol is sourced from PubChem (CID 130412460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).