1-(thiadiazol-4-yl)pentan-1-ol

C7H12N2OS — CID 105085185

IUPAC1-(thiadiazol-4-yl)pentan-1-ol
SMILESCCCCC(O)c1csnn1
InChIInChI=1S/C7H12N2OS/c1-2-3-4-7(10)6-5-11-9-8-6/h5,7,10H,2-4H2,1H3
InChIKeyYCPFXUNWKBIVOX-UHFFFAOYSA-N
MW172.25 g/mol
LogP1.76
Rot. Bonds4

About 1-(thiadiazol-4-yl)pentan-1-ol

1-(thiadiazol-4-yl)pentan-1-ol (PubChem CID 105085185) has the molecular formula C7H12N2OS and a molecular weight of 172.25 g/mol. Its IUPAC name is 1-(thiadiazol-4-yl)pentan-1-ol.

Molecular Properties

Compound Name1-(thiadiazol-4-yl)pentan-1-ol
PubChem CID105085185
Molecular FormulaC7H12N2OS
Molecular Weight172.25 g/mol
Exact Mass172.07
IUPAC Name1-(thiadiazol-4-yl)pentan-1-ol
SMILESCCCCC(O)c1csnn1
InChIInChI=1S/C7H12N2OS/c1-2-3-4-7(10)6-5-11-9-8-6/h5,7,10H,2-4H2,1H3
InChIKeyYCPFXUNWKBIVOX-UHFFFAOYSA-N
XLogP1.76
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(thiadiazol-4-yl)pentan-1-ol?
The IUPAC name of 1-(thiadiazol-4-yl)pentan-1-ol (CID 105085185) is 1-(thiadiazol-4-yl)pentan-1-ol.
What is the SMILES notation for 1-(thiadiazol-4-yl)pentan-1-ol?
The canonical SMILES for 1-(thiadiazol-4-yl)pentan-1-ol is CCCCC(O)c1csnn1.
What is the InChIKey of 1-(thiadiazol-4-yl)pentan-1-ol?
The InChIKey is YCPFXUNWKBIVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2OS/c1-2-3-4-7(10)6-5-11-9-8-6/h5,7,10H,2-4H2,1H3.
What are the key properties of 1-(thiadiazol-4-yl)pentan-1-ol?
1-(thiadiazol-4-yl)pentan-1-ol has a molecular weight of 172.25 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiadiazol-4-yl)pentan-1-ol is sourced from PubChem (CID 105085185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).