3-ethenyl-2-propan-2-yl-2H-1,3-thiazole

C8H13NS — CID 173055759

IUPAC3-ethenyl-2-propan-2-yl-2H-1,3-thiazole
SMILESC=CN1C=CSC1C(C)C
InChIInChI=1S/C8H13NS/c1-4-9-5-6-10-8(9)7(2)3/h4-8H,1H2,2-3H3
InChIKeyDGNGZMWCMODFHJ-UHFFFAOYSA-N
MW155.27 g/mol
LogP2.63
Rot. Bonds2

About 3-ethenyl-2-propan-2-yl-2H-1,3-thiazole

3-ethenyl-2-propan-2-yl-2H-1,3-thiazole (PubChem CID 173055759) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is 3-ethenyl-2-propan-2-yl-2H-1,3-thiazole.

Molecular Properties

Compound Name3-ethenyl-2-propan-2-yl-2H-1,3-thiazole
PubChem CID173055759
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC Name3-ethenyl-2-propan-2-yl-2H-1,3-thiazole
SMILESC=CN1C=CSC1C(C)C
InChIInChI=1S/C8H13NS/c1-4-9-5-6-10-8(9)7(2)3/h4-8H,1H2,2-3H3
InChIKeyDGNGZMWCMODFHJ-UHFFFAOYSA-N
XLogP2.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.27
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-3-methyl-2-propan-2-yl-2H-1,3-thiazole
CID 146392738
3-(difluoromethyl)-2-propan-2-yl-2H-1,3-thiazole
CID 173055787
2-propan-2-yl-3-(trifluoromethyl)-2H-1,3-thiazole
CID 173055811
2-methyl-3-propyl-2H-1,3-thiazole
CID 22419292
3-propyl-2H-1,3-thiazole
CID 54072042
2-Methylidene-3-propyl-1,3-thiazole
CID 59168910
2,3-di(propan-2-yl)-2H-1,3-thiazole
CID 121260876
3-methyl-2-propan-2-yl-2H-1,3-thiazole
CID 135194028
2,3-diethyl-2H-1,3-thiazole
CID 146223311
3,5-dimethyl-2-propan-2-yl-2H-1,3-thiazole
CID 152249905
3-(2-methylpropyl)-2H-1,3-thiazole
CID 154165307
2-ethyl-3-methyl-2H-1,3-thiazole
CID 154205411

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-2-propan-2-yl-2H-1,3-thiazole?
The IUPAC name of 3-ethenyl-2-propan-2-yl-2H-1,3-thiazole (CID 173055759) is 3-ethenyl-2-propan-2-yl-2H-1,3-thiazole.
What is the SMILES notation for 3-ethenyl-2-propan-2-yl-2H-1,3-thiazole?
The canonical SMILES for 3-ethenyl-2-propan-2-yl-2H-1,3-thiazole is C=CN1C=CSC1C(C)C.
What is the InChIKey of 3-ethenyl-2-propan-2-yl-2H-1,3-thiazole?
The InChIKey is DGNGZMWCMODFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NS/c1-4-9-5-6-10-8(9)7(2)3/h4-8H,1H2,2-3H3.
What are the key properties of 3-ethenyl-2-propan-2-yl-2H-1,3-thiazole?
3-ethenyl-2-propan-2-yl-2H-1,3-thiazole has a molecular weight of 155.27 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-2-propan-2-yl-2H-1,3-thiazole is sourced from PubChem (CID 173055759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).