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

C7H12N2OS — CID 65208679

IUPAC3-(5-methyl-1,3,4-thiadiazol-2-yl)butan-2-ol
SMILESCc1nnc(C(C)C(C)O)s1
InChIInChI=1S/C7H12N2OS/c1-4(5(2)10)7-9-8-6(3)11-7/h4-5,10H,1-3H3
InChIKeyMUNNRIGJXGGTTC-UHFFFAOYSA-N
MW172.25 g/mol
LogP1.33
Rot. Bonds2

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

3-(5-methyl-1,3,4-thiadiazol-2-yl)butan-2-ol (PubChem CID 65208679) has the molecular formula C7H12N2OS and a molecular weight of 172.25 g/mol. Its IUPAC name is 3-(5-methyl-1,3,4-thiadiazol-2-yl)butan-2-ol.

Molecular Properties

Compound Name3-(5-methyl-1,3,4-thiadiazol-2-yl)butan-2-ol
PubChem CID65208679
Molecular FormulaC7H12N2OS
Molecular Weight172.25 g/mol
Exact Mass172.07
IUPAC Name3-(5-methyl-1,3,4-thiadiazol-2-yl)butan-2-ol
SMILESCc1nnc(C(C)C(C)O)s1
InChIInChI=1S/C7H12N2OS/c1-4(5(2)10)7-9-8-6(3)11-7/h4-5,10H,1-3H3
InChIKeyMUNNRIGJXGGTTC-UHFFFAOYSA-N
XLogP1.33
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]propanamide
CID 131154139
3-bromo-N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]prop-2-ynamide
CID 130863570
1-(5-methyl-1,3,4-thiadiazol-2-yl)propan-2-ol
CID 65208576
2-(5-methyl-1,3,4-thiadiazol-2-yl)butanoic acid
CID 104572108
2-[1-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]pyrrolidin-2-yl]-1-phenylethanol
CID 119033917
4-(5-methyl-1,3,4-thiadiazol-2-yl)but-3-yn-2-ol
CID 122242542
2-(5-methyl-1,3,4-thiadiazol-2-yl)-2-sulfanylethanesulfonic acid
CID 174251442
N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]cyclopentanamine
CID 104625643
tert-butyl N-[(1R)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]carbamate
CID 134338437
(1R)-1-(4-fluorophenyl)-2-[(2R)-1-[(1S)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]pyrrolidin-2-yl]ethanol
CID 125141904
(1S)-1-(4-fluorophenyl)-2-[(2R)-1-[(1S)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]pyrrolidin-2-yl]ethanol
CID 125141907
N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]cycloheptanamine
CID 104628538

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1,3,4-thiadiazol-2-yl)butan-2-ol?
The IUPAC name of 3-(5-methyl-1,3,4-thiadiazol-2-yl)butan-2-ol (CID 65208679) is 3-(5-methyl-1,3,4-thiadiazol-2-yl)butan-2-ol.
What is the SMILES notation for 3-(5-methyl-1,3,4-thiadiazol-2-yl)butan-2-ol?
The canonical SMILES for 3-(5-methyl-1,3,4-thiadiazol-2-yl)butan-2-ol is Cc1nnc(C(C)C(C)O)s1.
What is the InChIKey of 3-(5-methyl-1,3,4-thiadiazol-2-yl)butan-2-ol?
The InChIKey is MUNNRIGJXGGTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2OS/c1-4(5(2)10)7-9-8-6(3)11-7/h4-5,10H,1-3H3.
What are the key properties of 3-(5-methyl-1,3,4-thiadiazol-2-yl)butan-2-ol?
3-(5-methyl-1,3,4-thiadiazol-2-yl)butan-2-ol has a molecular weight of 172.25 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-1,3,4-thiadiazol-2-yl)butan-2-ol is sourced from PubChem (CID 65208679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).