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

C8H15NS — CID 89007710

IUPAC5-tert-butyl-4-methyl-2,3-dihydro-1,3-thiazole
SMILESCC1=C(C(C)(C)C)SCN1
InChIInChI=1S/C8H15NS/c1-6-7(8(2,3)4)10-5-9-6/h9H,5H2,1-4H3
InChIKeyABXCOHOCRMZLDR-UHFFFAOYSA-N
MW157.28 g/mol
LogP2.56
Rot. Bonds

About 5-tert-butyl-4-methyl-2,3-dihydro-1,3-thiazole

5-tert-butyl-4-methyl-2,3-dihydro-1,3-thiazole (PubChem CID 89007710) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is 5-tert-butyl-4-methyl-2,3-dihydro-1,3-thiazole.

Molecular Properties

Compound Name5-tert-butyl-4-methyl-2,3-dihydro-1,3-thiazole
PubChem CID89007710
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name5-tert-butyl-4-methyl-2,3-dihydro-1,3-thiazole
SMILESCC1=C(C(C)(C)C)SCN1
InChIInChI=1S/C8H15NS/c1-6-7(8(2,3)4)10-5-9-6/h9H,5H2,1-4H3
InChIKeyABXCOHOCRMZLDR-UHFFFAOYSA-N
XLogP2.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-4-methyl-2,3-dihydro-1,3-thiazole?
The IUPAC name of 5-tert-butyl-4-methyl-2,3-dihydro-1,3-thiazole (CID 89007710) is 5-tert-butyl-4-methyl-2,3-dihydro-1,3-thiazole.
What is the SMILES notation for 5-tert-butyl-4-methyl-2,3-dihydro-1,3-thiazole?
The canonical SMILES for 5-tert-butyl-4-methyl-2,3-dihydro-1,3-thiazole is CC1=C(C(C)(C)C)SCN1.
What is the InChIKey of 5-tert-butyl-4-methyl-2,3-dihydro-1,3-thiazole?
The InChIKey is ABXCOHOCRMZLDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS/c1-6-7(8(2,3)4)10-5-9-6/h9H,5H2,1-4H3.
What are the key properties of 5-tert-butyl-4-methyl-2,3-dihydro-1,3-thiazole?
5-tert-butyl-4-methyl-2,3-dihydro-1,3-thiazole has a molecular weight of 157.28 g/mol, XLogP of 2.56, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-4-methyl-2,3-dihydro-1,3-thiazole is sourced from PubChem (CID 89007710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).