1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-methylbutan-2-ol

C10H16N2OS — CID 65280315

IUPAC1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-methylbutan-2-ol
SMILESCC(C)C(O)Cc1nc(C2CC2)ns1
InChIInChI=1S/C10H16N2OS/c1-6(2)8(13)5-9-11-10(12-14-9)7-3-4-7/h6-8,13H,3-5H2,1-2H3
InChIKeyVAGQTQIXARQGGI-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.97
Rot. Bonds4

About 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-methylbutan-2-ol

1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-methylbutan-2-ol (PubChem CID 65280315) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-methylbutan-2-ol.

Molecular Properties

Compound Name1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-methylbutan-2-ol
PubChem CID65280315
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-methylbutan-2-ol
SMILESCC(C)C(O)Cc1nc(C2CC2)ns1
InChIInChI=1S/C10H16N2OS/c1-6(2)8(13)5-9-11-10(12-14-9)7-3-4-7/h6-8,13H,3-5H2,1-2H3
InChIKeyVAGQTQIXARQGGI-UHFFFAOYSA-N
XLogP1.97
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-methylbutan-2-ol?
The IUPAC name of 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-methylbutan-2-ol (CID 65280315) is 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-methylbutan-2-ol.
What is the SMILES notation for 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-methylbutan-2-ol?
The canonical SMILES for 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-methylbutan-2-ol is CC(C)C(O)Cc1nc(C2CC2)ns1.
What is the InChIKey of 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-methylbutan-2-ol?
The InChIKey is VAGQTQIXARQGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-6(2)8(13)5-9-11-10(12-14-9)7-3-4-7/h6-8,13H,3-5H2,1-2H3.
What are the key properties of 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-methylbutan-2-ol?
1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-methylbutan-2-ol has a molecular weight of 212.32 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-methylbutan-2-ol is sourced from PubChem (CID 65280315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).