4-(thiadiazol-4-yl)butan-2-ol

C6H10N2OS — CID 130549768

IUPAC4-(thiadiazol-4-yl)butan-2-ol
SMILESCC(O)CCc1csnn1
InChIInChI=1S/C6H10N2OS/c1-5(9)2-3-6-4-10-8-7-6/h4-5,9H,2-3H2,1H3
InChIKeyYHNSZJZDHDYVBW-UHFFFAOYSA-N
MW158.23 g/mol
LogP0.85
Rot. Bonds3

About 4-(thiadiazol-4-yl)butan-2-ol

4-(thiadiazol-4-yl)butan-2-ol (PubChem CID 130549768) has the molecular formula C6H10N2OS and a molecular weight of 158.23 g/mol. Its IUPAC name is 4-(thiadiazol-4-yl)butan-2-ol.

Molecular Properties

Compound Name4-(thiadiazol-4-yl)butan-2-ol
PubChem CID130549768
Molecular FormulaC6H10N2OS
Molecular Weight158.23 g/mol
Exact Mass158.05
IUPAC Name4-(thiadiazol-4-yl)butan-2-ol
SMILESCC(O)CCc1csnn1
InChIInChI=1S/C6H10N2OS/c1-5(9)2-3-6-4-10-8-7-6/h4-5,9H,2-3H2,1H3
InChIKeyYHNSZJZDHDYVBW-UHFFFAOYSA-N
XLogP0.85
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.23
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,2,3-Thiadiazol-4-yl)propan-1-ol
CID 55267523
4,4,4-Trifluoro-1-(thiadiazol-4-yl)butan-1-ol
CID 105104670
5,5,5-Trifluoro-1-(thiadiazol-4-yl)pentan-1-ol
CID 105120610
3,3-Difluoro-1-(thiadiazol-4-yl)butan-2-ol
CID 130658745
3,3-Difluoro-3-(1,2,3-thiadiazol-4-yl)propan-1-ol
CID 165632863
1-(Thiadiazol-4-yl)decan-1-ol
CID 105084913
1-(Thiadiazol-4-yl)octan-1-ol
CID 105085055
1-(Thiadiazol-4-yl)pentan-1-ol
CID 105085185
1-(Thiadiazol-4-yl)heptan-1-ol
CID 105085321
4-Methyl-1-(thiadiazol-4-yl)pentan-1-ol
CID 105085531
1-(Thiadiazol-4-yl)nonan-1-ol
CID 105085762
1-(Thiadiazol-4-yl)hexan-1-ol
CID 105086115

Frequently Asked Questions

What is the IUPAC name of 4-(thiadiazol-4-yl)butan-2-ol?
The IUPAC name of 4-(thiadiazol-4-yl)butan-2-ol (CID 130549768) is 4-(thiadiazol-4-yl)butan-2-ol.
What is the SMILES notation for 4-(thiadiazol-4-yl)butan-2-ol?
The canonical SMILES for 4-(thiadiazol-4-yl)butan-2-ol is CC(O)CCc1csnn1.
What is the InChIKey of 4-(thiadiazol-4-yl)butan-2-ol?
The InChIKey is YHNSZJZDHDYVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2OS/c1-5(9)2-3-6-4-10-8-7-6/h4-5,9H,2-3H2,1H3.
What are the key properties of 4-(thiadiazol-4-yl)butan-2-ol?
4-(thiadiazol-4-yl)butan-2-ol has a molecular weight of 158.23 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(thiadiazol-4-yl)butan-2-ol is sourced from PubChem (CID 130549768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).