2-tert-butyl-5-deuterio-4-methylidene-1,3-thiazole

C8H13NS — CID 58417090

IUPAC2-tert-butyl-5-deuterio-4-methylidene-1,3-thiazole
SMILES[2H]C1SC(C(C)(C)C)=NC1=C
InChIInChI=1S/C8H13NS/c1-6-5-10-7(9-6)8(2,3)4/h1,5H2,2-4H3/i5D
InChIKeyAKMFJEFARUBXAU-UICOGKGYSA-N
MW156.27 g/mol
LogP2.69
Rot. Bonds

About 2-tert-butyl-5-deuterio-4-methylidene-1,3-thiazole

2-tert-butyl-5-deuterio-4-methylidene-1,3-thiazole (PubChem CID 58417090) has the molecular formula C8H13NS and a molecular weight of 156.27 g/mol. Its IUPAC name is 2-tert-butyl-5-deuterio-4-methylidene-1,3-thiazole.

Molecular Properties

Compound Name2-tert-butyl-5-deuterio-4-methylidene-1,3-thiazole
PubChem CID58417090
Molecular FormulaC8H13NS
Molecular Weight156.27 g/mol
Exact Mass156.08
IUPAC Name2-tert-butyl-5-deuterio-4-methylidene-1,3-thiazole
SMILES[2H]C1SC(C(C)(C)C)=NC1=C
InChIInChI=1S/C8H13NS/c1-6-5-10-7(9-6)8(2,3)4/h1,5H2,2-4H3/i5D
InChIKeyAKMFJEFARUBXAU-UICOGKGYSA-N
XLogP2.69
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-deuterio-4-methylidene-1,3-thiazole?
The IUPAC name of 2-tert-butyl-5-deuterio-4-methylidene-1,3-thiazole (CID 58417090) is 2-tert-butyl-5-deuterio-4-methylidene-1,3-thiazole.
What is the SMILES notation for 2-tert-butyl-5-deuterio-4-methylidene-1,3-thiazole?
The canonical SMILES for 2-tert-butyl-5-deuterio-4-methylidene-1,3-thiazole is [2H]C1SC(C(C)(C)C)=NC1=C.
What is the InChIKey of 2-tert-butyl-5-deuterio-4-methylidene-1,3-thiazole?
The InChIKey is AKMFJEFARUBXAU-UICOGKGYSA-N. The full InChI is InChI=1S/C8H13NS/c1-6-5-10-7(9-6)8(2,3)4/h1,5H2,2-4H3/i5D.
What are the key properties of 2-tert-butyl-5-deuterio-4-methylidene-1,3-thiazole?
2-tert-butyl-5-deuterio-4-methylidene-1,3-thiazole has a molecular weight of 156.27 g/mol, XLogP of 2.69, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-deuterio-4-methylidene-1,3-thiazole is sourced from PubChem (CID 58417090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).