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

C9H13NS — CID 59860423

IUPAC4-tert-butyl-3-ethenyl-1,2-thiazole
SMILESC=Cc1nscc1C(C)(C)C
InChIInChI=1S/C9H13NS/c1-5-8-7(6-11-10-8)9(2,3)4/h5-6H,1H2,2-4H3
InChIKeyIUKJGQJFSZTEKQ-UHFFFAOYSA-N
MW167.28 g/mol
LogP3.08
Rot. Bonds1

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

4-tert-butyl-3-ethenyl-1,2-thiazole (PubChem CID 59860423) has the molecular formula C9H13NS and a molecular weight of 167.28 g/mol. Its IUPAC name is 4-tert-butyl-3-ethenyl-1,2-thiazole.

Molecular Properties

Compound Name4-tert-butyl-3-ethenyl-1,2-thiazole
PubChem CID59860423
Molecular FormulaC9H13NS
Molecular Weight167.28 g/mol
Exact Mass167.08
IUPAC Name4-tert-butyl-3-ethenyl-1,2-thiazole
SMILESC=Cc1nscc1C(C)(C)C
InChIInChI=1S/C9H13NS/c1-5-8-7(6-11-10-8)9(2,3)4/h5-6H,1H2,2-4H3
InChIKeyIUKJGQJFSZTEKQ-UHFFFAOYSA-N
XLogP3.08
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.28
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-Di(propan-2-yl)-1,2-thiazole
CID 23402729
3-Methyl-4-propan-2-yl-1,2-thiazole
CID 53661545
4-Tert-butyl-3-propan-2-yl-1,2-thiazole
CID 57723382
4-tert-butyl-3-[(Z)-2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,2-thiazole
CID 58263902
3,4-Ditert-butyl-1,2-thiazole
CID 58980118
4-Tert-butyl-3-methyl-1,2-thiazole
CID 59436682
3-Tert-butyl-4-propan-2-yl-1,2-thiazole
CID 59706644
4-Tert-butyl-3-ethynyl-1,2-thiazole
CID 59860415
4-Tert-butyl-3-ethyl-1,2-thiazole
CID 66916540
3-Ethyl-4-propan-2-yl-1,2-thiazole
CID 68038118
3-Ethenyl-4-ethyl-1,2-thiazole
CID 68170280
4-Tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,2-thiazole
CID 68225457

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3-ethenyl-1,2-thiazole?
The IUPAC name of 4-tert-butyl-3-ethenyl-1,2-thiazole (CID 59860423) is 4-tert-butyl-3-ethenyl-1,2-thiazole.
What is the SMILES notation for 4-tert-butyl-3-ethenyl-1,2-thiazole?
The canonical SMILES for 4-tert-butyl-3-ethenyl-1,2-thiazole is C=Cc1nscc1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-3-ethenyl-1,2-thiazole?
The InChIKey is IUKJGQJFSZTEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NS/c1-5-8-7(6-11-10-8)9(2,3)4/h5-6H,1H2,2-4H3.
What are the key properties of 4-tert-butyl-3-ethenyl-1,2-thiazole?
4-tert-butyl-3-ethenyl-1,2-thiazole has a molecular weight of 167.28 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-3-ethenyl-1,2-thiazole is sourced from PubChem (CID 59860423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).