4-butan-2-yl-5-methylthiadiazole

C7H12N2S — CID 77407509

IUPAC4-butan-2-yl-5-methylthiadiazole
SMILESCCC(C)c1nnsc1C
InChIInChI=1S/C7H12N2S/c1-4-5(2)7-6(3)10-9-8-7/h5H,4H2,1-3H3
InChIKeyIIIQFVUNWJFFNR-UHFFFAOYSA-N
MW156.25 g/mol
LogP2.36
Rot. Bonds2

About 4-butan-2-yl-5-methylthiadiazole

4-butan-2-yl-5-methylthiadiazole (PubChem CID 77407509) has the molecular formula C7H12N2S and a molecular weight of 156.25 g/mol. Its IUPAC name is 4-butan-2-yl-5-methylthiadiazole.

Molecular Properties

Compound Name4-butan-2-yl-5-methylthiadiazole
PubChem CID77407509
Molecular FormulaC7H12N2S
Molecular Weight156.25 g/mol
Exact Mass156.07
IUPAC Name4-butan-2-yl-5-methylthiadiazole
SMILESCCC(C)c1nnsc1C
InChIInChI=1S/C7H12N2S/c1-4-5(2)7-6(3)10-9-8-7/h5H,4H2,1-3H3
InChIKeyIIIQFVUNWJFFNR-UHFFFAOYSA-N
XLogP2.36
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Tert-butyl-5-methylthiadiazole
CID 12552709
4-Tert-butyl-5-propan-2-ylthiadiazole
CID 12552710
4-Cyclopropyl-5-(fluoromethyl)thiadiazole
CID 141237817
5-Cyclopropyl-4-(fluoromethyl)thiadiazole
CID 141237847
5-Ethyl-4-methylthiadiazole
CID 12679017
4-Methyl-5-propylthiadiazole
CID 12913685
5-(2-Chloro-2-methylpropyl)-4-methylthiadiazole
CID 134909748
4-Ethyl-5-methylthiadiazole
CID 12679016
4-Methyl-5-pentyl-1,2,3-thiadiazole
CID 13427196
2-Methyl-1-(4-methylthiadiazol-5-yl)propan-2-amine
CID 23111159
5-Butyl-4-methylthiadiazole
CID 23383489
5-Tert-butyl-4-methylthiadiazole
CID 23529416

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-5-methylthiadiazole?
The IUPAC name of 4-butan-2-yl-5-methylthiadiazole (CID 77407509) is 4-butan-2-yl-5-methylthiadiazole.
What is the SMILES notation for 4-butan-2-yl-5-methylthiadiazole?
The canonical SMILES for 4-butan-2-yl-5-methylthiadiazole is CCC(C)c1nnsc1C.
What is the InChIKey of 4-butan-2-yl-5-methylthiadiazole?
The InChIKey is IIIQFVUNWJFFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2S/c1-4-5(2)7-6(3)10-9-8-7/h5H,4H2,1-3H3.
What are the key properties of 4-butan-2-yl-5-methylthiadiazole?
4-butan-2-yl-5-methylthiadiazole has a molecular weight of 156.25 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-5-methylthiadiazole is sourced from PubChem (CID 77407509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).