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

C8H15NS — CID 143329221

IUPAC4-tert-butyl-3-methyl-2H-1,3-thiazole
SMILESCN1CSC=C1C(C)(C)C
InChIInChI=1S/C8H15NS/c1-8(2,3)7-5-10-6-9(7)4/h5H,6H2,1-4H3
InChIKeyILHAOBQNOJFDBZ-UHFFFAOYSA-N
MW157.28 g/mol
LogP2.51
Rot. Bonds

About 4-tert-butyl-3-methyl-2H-1,3-thiazole

4-tert-butyl-3-methyl-2H-1,3-thiazole (PubChem CID 143329221) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is 4-tert-butyl-3-methyl-2H-1,3-thiazole.

Molecular Properties

Compound Name4-tert-butyl-3-methyl-2H-1,3-thiazole
PubChem CID143329221
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name4-tert-butyl-3-methyl-2H-1,3-thiazole
SMILESCN1CSC=C1C(C)(C)C
InChIInChI=1S/C8H15NS/c1-8(2,3)7-5-10-6-9(7)4/h5H,6H2,1-4H3
InChIKeyILHAOBQNOJFDBZ-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3-methyl-2H-1,3-thiazole?
The IUPAC name of 4-tert-butyl-3-methyl-2H-1,3-thiazole (CID 143329221) is 4-tert-butyl-3-methyl-2H-1,3-thiazole.
What is the SMILES notation for 4-tert-butyl-3-methyl-2H-1,3-thiazole?
The canonical SMILES for 4-tert-butyl-3-methyl-2H-1,3-thiazole is CN1CSC=C1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-3-methyl-2H-1,3-thiazole?
The InChIKey is ILHAOBQNOJFDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS/c1-8(2,3)7-5-10-6-9(7)4/h5H,6H2,1-4H3.
What are the key properties of 4-tert-butyl-3-methyl-2H-1,3-thiazole?
4-tert-butyl-3-methyl-2H-1,3-thiazole has a molecular weight of 157.28 g/mol, XLogP of 2.51, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-3-methyl-2H-1,3-thiazole is sourced from PubChem (CID 143329221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).