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

C8H14N2OS — CID 65273471

IUPAC1-(3-methyl-1,2,4-thiadiazol-5-yl)pentan-2-ol
SMILESCCCC(O)Cc1nc(C)ns1
InChIInChI=1S/C8H14N2OS/c1-3-4-7(11)5-8-9-6(2)10-12-8/h7,11H,3-5H2,1-2H3
InChIKeyNTBVDOCLGWFLEK-UHFFFAOYSA-N
MW186.28 g/mol
LogP1.55
Rot. Bonds4

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

1-(3-methyl-1,2,4-thiadiazol-5-yl)pentan-2-ol (PubChem CID 65273471) has the molecular formula C8H14N2OS and a molecular weight of 186.28 g/mol. Its IUPAC name is 1-(3-methyl-1,2,4-thiadiazol-5-yl)pentan-2-ol.

Molecular Properties

Compound Name1-(3-methyl-1,2,4-thiadiazol-5-yl)pentan-2-ol
PubChem CID65273471
Molecular FormulaC8H14N2OS
Molecular Weight186.28 g/mol
Exact Mass186.08
IUPAC Name1-(3-methyl-1,2,4-thiadiazol-5-yl)pentan-2-ol
SMILESCCCC(O)Cc1nc(C)ns1
InChIInChI=1S/C8H14N2OS/c1-3-4-7(11)5-8-9-6(2)10-12-8/h7,11H,3-5H2,1-2H3
InChIKeyNTBVDOCLGWFLEK-UHFFFAOYSA-N
XLogP1.55
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-Piperidin-1-yl-1,2,4-thiadiazol-3-yl)propan-2-ol
CID 141621183
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
1-(3-Methyl-1,2,4-thiadiazol-5-yl)propan-2-ol
CID 65273469
3-(3-Methyl-1,2,4-thiadiazol-5-yl)pentan-2-ol
CID 65273470
3,3-Dimethyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-ol
CID 65273472
1-(3-Methyl-1,2,4-thiadiazol-5-yl)butan-2-ol
CID 65273531
3-Methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-ol
CID 65273532
3-(3-Methyl-1,2,4-thiadiazol-5-yl)butan-2-ol
CID 65273533

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1,2,4-thiadiazol-5-yl)pentan-2-ol?
The IUPAC name of 1-(3-methyl-1,2,4-thiadiazol-5-yl)pentan-2-ol (CID 65273471) is 1-(3-methyl-1,2,4-thiadiazol-5-yl)pentan-2-ol.
What is the SMILES notation for 1-(3-methyl-1,2,4-thiadiazol-5-yl)pentan-2-ol?
The canonical SMILES for 1-(3-methyl-1,2,4-thiadiazol-5-yl)pentan-2-ol is CCCC(O)Cc1nc(C)ns1.
What is the InChIKey of 1-(3-methyl-1,2,4-thiadiazol-5-yl)pentan-2-ol?
The InChIKey is NTBVDOCLGWFLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2OS/c1-3-4-7(11)5-8-9-6(2)10-12-8/h7,11H,3-5H2,1-2H3.
What are the key properties of 1-(3-methyl-1,2,4-thiadiazol-5-yl)pentan-2-ol?
1-(3-methyl-1,2,4-thiadiazol-5-yl)pentan-2-ol has a molecular weight of 186.28 g/mol, XLogP of 1.55, 4 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)pentan-2-ol is sourced from PubChem (CID 65273471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).