2-tert-butyl-5-(2-methylpropyl)-1,3,4-thiadiazole

C10H18N2S — CID 58970612

IUPAC2-tert-butyl-5-(2-methylpropyl)-1,3,4-thiadiazole
SMILESCC(C)Cc1nnc(C(C)(C)C)s1
InChIInChI=1S/C10H18N2S/c1-7(2)6-8-11-12-9(13-8)10(3,4)5/h7H,6H2,1-5H3
InChIKeyCDHNZQQXOUYCOY-UHFFFAOYSA-N
MW198.33 g/mol
LogP3.03
Rot. Bonds2

About 2-tert-butyl-5-(2-methylpropyl)-1,3,4-thiadiazole

2-tert-butyl-5-(2-methylpropyl)-1,3,4-thiadiazole (PubChem CID 58970612) has the molecular formula C10H18N2S and a molecular weight of 198.33 g/mol. Its IUPAC name is 2-tert-butyl-5-(2-methylpropyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-tert-butyl-5-(2-methylpropyl)-1,3,4-thiadiazole
PubChem CID58970612
Molecular FormulaC10H18N2S
Molecular Weight198.33 g/mol
Exact Mass198.12
IUPAC Name2-tert-butyl-5-(2-methylpropyl)-1,3,4-thiadiazole
SMILESCC(C)Cc1nnc(C(C)(C)C)s1
InChIInChI=1S/C10H18N2S/c1-7(2)6-8-11-12-9(13-8)10(3,4)5/h7H,6H2,1-5H3
InChIKeyCDHNZQQXOUYCOY-UHFFFAOYSA-N
XLogP3.03
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-Diisopropyl-1,3,4-thiadiazole
CID 6451666
2,5-Di-tert-butyl-1,3,4-thiadiazole
CID 13448364
2-Butan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 145124517
2-(2,2-Dimethylpropyl)-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 148420629
2-(Difluoromethyl)-5-(2,2-dimethylpropyl)-1,3,4-thiadiazole
CID 155765582
2-(1-Fluoroethyl)-5-propan-2-yl-1,3,4-thiadiazole
CID 170195634
2-[1-(Difluoromethyl)cyclopropyl]-5-propan-2-yl-1,3,4-thiadiazole
CID 177049177
2-(1-Fluorocyclopropyl)-5-propan-2-yl-1,3,4-thiadiazole
CID 177049696
2-Propan-2-yl-5-[1-(trifluoromethyl)cyclopropyl]-1,3,4-thiadiazole
CID 178826391
2,5-Dipropyl-1,3,4-thiadiazole
CID 12639664
2,5-Dibutyl-1,3,4-thiadiazole
CID 12639665
2-(2,2-Dimethylpropyl)-5-(1-fluoroethyl)-1,3,4-thiadiazole
CID 157242747

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(2-methylpropyl)-1,3,4-thiadiazole?
The IUPAC name of 2-tert-butyl-5-(2-methylpropyl)-1,3,4-thiadiazole (CID 58970612) is 2-tert-butyl-5-(2-methylpropyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-tert-butyl-5-(2-methylpropyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-tert-butyl-5-(2-methylpropyl)-1,3,4-thiadiazole is CC(C)Cc1nnc(C(C)(C)C)s1.
What is the InChIKey of 2-tert-butyl-5-(2-methylpropyl)-1,3,4-thiadiazole?
The InChIKey is CDHNZQQXOUYCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S/c1-7(2)6-8-11-12-9(13-8)10(3,4)5/h7H,6H2,1-5H3.
What are the key properties of 2-tert-butyl-5-(2-methylpropyl)-1,3,4-thiadiazole?
2-tert-butyl-5-(2-methylpropyl)-1,3,4-thiadiazole has a molecular weight of 198.33 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(2-methylpropyl)-1,3,4-thiadiazole is sourced from PubChem (CID 58970612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).