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

C8H13NS — CID 59436682

IUPAC4-tert-butyl-3-methyl-1,2-thiazole
SMILESCc1nscc1C(C)(C)C
InChIInChI=1S/C8H13NS/c1-6-7(5-10-9-6)8(2,3)4/h5H,1-4H3
InChIKeyJWDQETWCSMLSRN-UHFFFAOYSA-N
MW155.27 g/mol
LogP2.75
Rot. Bonds

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

4-tert-butyl-3-methyl-1,2-thiazole (PubChem CID 59436682) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is 4-tert-butyl-3-methyl-1,2-thiazole.

Molecular Properties

Compound Name4-tert-butyl-3-methyl-1,2-thiazole
PubChem CID59436682
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC Name4-tert-butyl-3-methyl-1,2-thiazole
SMILESCc1nscc1C(C)(C)C
InChIInChI=1S/C8H13NS/c1-6-7(5-10-9-6)8(2,3)4/h5H,1-4H3
InChIKeyJWDQETWCSMLSRN-UHFFFAOYSA-N
XLogP2.75
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.27
LogP ≤ 52.75
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-1,2-thiazole?
The IUPAC name of 4-tert-butyl-3-methyl-1,2-thiazole (CID 59436682) is 4-tert-butyl-3-methyl-1,2-thiazole.
What is the SMILES notation for 4-tert-butyl-3-methyl-1,2-thiazole?
The canonical SMILES for 4-tert-butyl-3-methyl-1,2-thiazole is Cc1nscc1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-3-methyl-1,2-thiazole?
The InChIKey is JWDQETWCSMLSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NS/c1-6-7(5-10-9-6)8(2,3)4/h5H,1-4H3.
What are the key properties of 4-tert-butyl-3-methyl-1,2-thiazole?
4-tert-butyl-3-methyl-1,2-thiazole has a molecular weight of 155.27 g/mol, XLogP of 2.75, 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-1,2-thiazole is sourced from PubChem (CID 59436682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).