3,5-di(propan-2-yl)-1,2,4-thiadiazole

C16H28N4S2 — CID 167579429

IUPAC3,5-di(propan-2-yl)-1,2,4-thiadiazole
SMILESCC(C)c1nsc(C(C)C)n1.CC(C)c1nsc(C(C)C)n1
InChIInChI=1S/2C8H14N2S/c2*1-5(2)7-9-8(6(3)4)11-10-7/h2*5-6H,1-4H3
InChIKeyGZCDKJXQXWDDFB-UHFFFAOYSA-N
MW340.56 g/mol
LogP5.57
Rot. Bonds4

About 3,5-di(propan-2-yl)-1,2,4-thiadiazole

3,5-di(propan-2-yl)-1,2,4-thiadiazole (PubChem CID 167579429) has the molecular formula C16H28N4S2 and a molecular weight of 340.56 g/mol. Its IUPAC name is 3,5-di(propan-2-yl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3,5-di(propan-2-yl)-1,2,4-thiadiazole
PubChem CID167579429
Molecular FormulaC16H28N4S2
Molecular Weight340.56 g/mol
Exact Mass340.18
IUPAC Name3,5-di(propan-2-yl)-1,2,4-thiadiazole
SMILESCC(C)c1nsc(C(C)C)n1.CC(C)c1nsc(C(C)C)n1
InChIInChI=1S/2C8H14N2S/c2*1-5(2)7-9-8(6(3)4)11-10-7/h2*5-6H,1-4H3
InChIKeyGZCDKJXQXWDDFB-UHFFFAOYSA-N
XLogP5.57
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.56
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)butan-2-one
CID 65280720
2-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propanamide
CID 143219892
3-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pentan-2-amine
CID 65280428
3-methyl-5-propan-2-yl-1,2,4-thiadiazole
CID 20605582
5-methylsulfanyl-3-propan-2-yl-1,2,4-thiadiazole
CID 131160002
3-propan-2-yl-1,2,4-thiadiazole-5-carbonitrile
CID 82416843
3-propan-2-yl-1,2,4-thiadiazole-5-carboxylic acid
CID 23365085
2-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanoic acid
CID 65270725
N-cyclopropyl-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65269115
(3-propan-2-yl-1,2,4-thiadiazol-5-yl)carbamic acid
CID 68803275
3-propan-2-yl-N-propyl-1,2,4-thiadiazol-5-amine
CID 65269095
N-[(2S)-1-fluoropropan-2-yl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 130731275

Frequently Asked Questions

What is the IUPAC name of 3,5-di(propan-2-yl)-1,2,4-thiadiazole?
The IUPAC name of 3,5-di(propan-2-yl)-1,2,4-thiadiazole (CID 167579429) is 3,5-di(propan-2-yl)-1,2,4-thiadiazole.
What is the SMILES notation for 3,5-di(propan-2-yl)-1,2,4-thiadiazole?
The canonical SMILES for 3,5-di(propan-2-yl)-1,2,4-thiadiazole is CC(C)c1nsc(C(C)C)n1.CC(C)c1nsc(C(C)C)n1.
What is the InChIKey of 3,5-di(propan-2-yl)-1,2,4-thiadiazole?
The InChIKey is GZCDKJXQXWDDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H14N2S/c2*1-5(2)7-9-8(6(3)4)11-10-7/h2*5-6H,1-4H3.
What are the key properties of 3,5-di(propan-2-yl)-1,2,4-thiadiazole?
3,5-di(propan-2-yl)-1,2,4-thiadiazole has a molecular weight of 340.56 g/mol, XLogP of 5.57, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-di(propan-2-yl)-1,2,4-thiadiazole is sourced from PubChem (CID 167579429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).