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

C6H10N2OS — CID 65208576

IUPAC1-(5-methyl-1,3,4-thiadiazol-2-yl)propan-2-ol
SMILESCc1nnc(CC(C)O)s1
InChIInChI=1S/C6H10N2OS/c1-4(9)3-6-8-7-5(2)10-6/h4,9H,3H2,1-2H3
InChIKeyNERPIGDWMXXHLH-UHFFFAOYSA-N
MW158.23 g/mol
LogP0.77
Rot. Bonds2

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

1-(5-methyl-1,3,4-thiadiazol-2-yl)propan-2-ol (PubChem CID 65208576) has the molecular formula C6H10N2OS and a molecular weight of 158.23 g/mol. Its IUPAC name is 1-(5-methyl-1,3,4-thiadiazol-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-(5-methyl-1,3,4-thiadiazol-2-yl)propan-2-ol
PubChem CID65208576
Molecular FormulaC6H10N2OS
Molecular Weight158.23 g/mol
Exact Mass158.05
IUPAC Name1-(5-methyl-1,3,4-thiadiazol-2-yl)propan-2-ol
SMILESCc1nnc(CC(C)O)s1
InChIInChI=1S/C6H10N2OS/c1-4(9)3-6-8-7-5(2)10-6/h4,9H,3H2,1-2H3
InChIKeyNERPIGDWMXXHLH-UHFFFAOYSA-N
XLogP0.77
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.23
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chloropropyl)-5-methyl-1,3,4-thiadiazole
CID 65208736
2-(3-bromo-2-methylbutyl)-5-methyl-1,3,4-thiadiazole
CID 164654249
3-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)butan-2-amine
CID 65208842
3-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)butan-2-one
CID 65208677
2-(2-chloro-3,3-dimethylbutyl)-5-methyl-1,3,4-thiadiazole
CID 65208788
2-[2-(chloromethyl)butyl]-5-methyl-1,3,4-thiadiazole
CID 165446217
1-methyl-2-[(2S)-4-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pentan-2-yl]hydrazine
CID 167047306
(5-methyl-1,3,4-thiadiazol-2-yl)methanamine;hydrochloride
CID 11615231
3-amino-2-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)butan-2-ol
CID 164661717
2-(5-methyl-1,3,4-thiadiazol-2-yl)ethanethiol
CID 45123411
1-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propylpentan-2-amine
CID 65208119
3-(5-methyl-1,3,4-thiadiazol-2-yl)butan-2-ol
CID 65208679

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,3,4-thiadiazol-2-yl)propan-2-ol?
The IUPAC name of 1-(5-methyl-1,3,4-thiadiazol-2-yl)propan-2-ol (CID 65208576) is 1-(5-methyl-1,3,4-thiadiazol-2-yl)propan-2-ol.
What is the SMILES notation for 1-(5-methyl-1,3,4-thiadiazol-2-yl)propan-2-ol?
The canonical SMILES for 1-(5-methyl-1,3,4-thiadiazol-2-yl)propan-2-ol is Cc1nnc(CC(C)O)s1.
What is the InChIKey of 1-(5-methyl-1,3,4-thiadiazol-2-yl)propan-2-ol?
The InChIKey is NERPIGDWMXXHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2OS/c1-4(9)3-6-8-7-5(2)10-6/h4,9H,3H2,1-2H3.
What are the key properties of 1-(5-methyl-1,3,4-thiadiazol-2-yl)propan-2-ol?
1-(5-methyl-1,3,4-thiadiazol-2-yl)propan-2-ol has a molecular weight of 158.23 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,3,4-thiadiazol-2-yl)propan-2-ol is sourced from PubChem (CID 65208576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).