3-tert-butyl-2-methyl-2H-1,3-thiazole

C8H15NS — CID 164786426

IUPAC3-tert-butyl-2-methyl-2H-1,3-thiazole
SMILESCC1SC=CN1C(C)(C)C
InChIInChI=1S/C8H15NS/c1-7-9(5-6-10-7)8(2,3)4/h5-7H,1-4H3
InChIKeyRZWICYLSXBZUMQ-UHFFFAOYSA-N
MW157.28 g/mol
LogP2.65
Rot. Bonds

About 3-tert-butyl-2-methyl-2H-1,3-thiazole

3-tert-butyl-2-methyl-2H-1,3-thiazole (PubChem CID 164786426) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is 3-tert-butyl-2-methyl-2H-1,3-thiazole.

Molecular Properties

Compound Name3-tert-butyl-2-methyl-2H-1,3-thiazole
PubChem CID164786426
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name3-tert-butyl-2-methyl-2H-1,3-thiazole
SMILESCC1SC=CN1C(C)(C)C
InChIInChI=1S/C8H15NS/c1-7-9(5-6-10-7)8(2,3)4/h5-7H,1-4H3
InChIKeyRZWICYLSXBZUMQ-UHFFFAOYSA-N
XLogP2.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2-methyl-2H-1,3-thiazole?
The IUPAC name of 3-tert-butyl-2-methyl-2H-1,3-thiazole (CID 164786426) is 3-tert-butyl-2-methyl-2H-1,3-thiazole.
What is the SMILES notation for 3-tert-butyl-2-methyl-2H-1,3-thiazole?
The canonical SMILES for 3-tert-butyl-2-methyl-2H-1,3-thiazole is CC1SC=CN1C(C)(C)C.
What is the InChIKey of 3-tert-butyl-2-methyl-2H-1,3-thiazole?
The InChIKey is RZWICYLSXBZUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS/c1-7-9(5-6-10-7)8(2,3)4/h5-7H,1-4H3.
What are the key properties of 3-tert-butyl-2-methyl-2H-1,3-thiazole?
3-tert-butyl-2-methyl-2H-1,3-thiazole has a molecular weight of 157.28 g/mol, XLogP of 2.65, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2-methyl-2H-1,3-thiazole is sourced from PubChem (CID 164786426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).