6-tert-butyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine

C15H21N5OS — CID 31981408

IUPAC6-tert-butyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCc1noc(C)c1CN(C)c1nn2cc(C(C)(C)C)nc2s1
InChIInChI=1S/C15H21N5OS/c1-9-11(10(2)21-18-9)7-19(6)14-17-20-8-12(15(3,4)5)16-13(20)22-14/h8H,7H2,1-6H3
InChIKeyPHTAVMZCCXGEDV-UHFFFAOYSA-N
MW319.43 g/mol
LogP3.33
Rot. Bonds3

About 6-tert-butyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine

6-tert-butyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 31981408) has the molecular formula C15H21N5OS and a molecular weight of 319.43 g/mol. Its IUPAC name is 6-tert-butyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound Name6-tert-butyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID31981408
Molecular FormulaC15H21N5OS
Molecular Weight319.43 g/mol
Exact Mass319.15
IUPAC Name6-tert-butyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCc1noc(C)c1CN(C)c1nn2cc(C(C)(C)C)nc2s1
InChIInChI=1S/C15H21N5OS/c1-9-11(10(2)21-18-9)7-19(6)14-17-20-8-12(15(3,4)5)16-13(20)22-14/h8H,7H2,1-6H3
InChIKeyPHTAVMZCCXGEDV-UHFFFAOYSA-N
XLogP3.33
TPSA59.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of 6-tert-butyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 31981408) is 6-tert-butyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for 6-tert-butyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for 6-tert-butyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine is Cc1noc(C)c1CN(C)c1nn2cc(C(C)(C)C)nc2s1.
What is the InChIKey of 6-tert-butyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is PHTAVMZCCXGEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5OS/c1-9-11(10(2)21-18-9)7-19(6)14-17-20-8-12(15(3,4)5)16-13(20)22-14/h8H,7H2,1-6H3.
What are the key properties of 6-tert-butyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
6-tert-butyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 319.43 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 31981408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).