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

C7H12N2OS — CID 65273531

IUPAC1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-ol
SMILESCCC(O)Cc1nc(C)ns1
InChIInChI=1S/C7H12N2OS/c1-3-6(10)4-7-8-5(2)9-11-7/h6,10H,3-4H2,1-2H3
InChIKeyZHIXGUNVANVJMO-UHFFFAOYSA-N
MW172.25 g/mol
LogP1.16
Rot. Bonds3

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

1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-ol (PubChem CID 65273531) has the molecular formula C7H12N2OS and a molecular weight of 172.25 g/mol. Its IUPAC name is 1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-ol.

Molecular Properties

Compound Name1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-ol
PubChem CID65273531
Molecular FormulaC7H12N2OS
Molecular Weight172.25 g/mol
Exact Mass172.07
IUPAC Name1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-ol
SMILESCCC(O)Cc1nc(C)ns1
InChIInChI=1S/C7H12N2OS/c1-3-6(10)4-7-8-5(2)9-11-7/h6,10H,3-4H2,1-2H3
InChIKeyZHIXGUNVANVJMO-UHFFFAOYSA-N
XLogP1.16
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-Ethyl-1,2,4-thiadiazol-5-yl)methanol
CID 67257370
5-(3-Hydroxypropyl)-3-methyl-1,2,4-thiadiazole
CID 18967881
1-(5-Amino-1,2,4-thiadiazol-3-yl)propan-2-ol
CID 21081457
2-(3-Methyl-1,2,4-thiadiazol-5-yl)ethanol
CID 83674191
1-(5-Propan-2-yl-1,2,4-thiadiazol-3-yl)ethane-1,2-diol
CID 90398015
1-(5-Methyl-1,2,4-thiadiazol-3-yl)ethane-1,2-diol
CID 90400215
1-(5-Piperidin-1-yl-1,2,4-thiadiazol-3-yl)propan-2-ol
CID 141621183
5-(2-Methoxyethyl)-3-methyl-1,2,4-thiadiazole
CID 142566044
3-(2-Methoxyethyl)-5-methyl-1,2,4-thiadiazole
CID 142566079
1-(3-Methyl-1,2,4-thiadiazol-5-yl)piperidin-4-ol
CID 65273150
1-Methoxy-3-(3-methyl-1,2,4-thiadiazol-5-yl)propan-2-ol
CID 65273410
4-Methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)pentan-2-ol
CID 65273411

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-ol?
The IUPAC name of 1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-ol (CID 65273531) is 1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-ol.
What is the SMILES notation for 1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-ol?
The canonical SMILES for 1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-ol is CCC(O)Cc1nc(C)ns1.
What is the InChIKey of 1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-ol?
The InChIKey is ZHIXGUNVANVJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2OS/c1-3-6(10)4-7-8-5(2)9-11-7/h6,10H,3-4H2,1-2H3.
What are the key properties of 1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-ol?
1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-ol has a molecular weight of 172.25 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-ol is sourced from PubChem (CID 65273531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).