3-ethenyl-4-(2-methylpentan-2-yl)-1,2-thiazole

C11H17NS — CID 126549452

IUPAC3-ethenyl-4-(2-methylpentan-2-yl)-1,2-thiazole
SMILESC=Cc1nscc1C(C)(C)CCC
InChIInChI=1S/C11H17NS/c1-5-7-11(3,4)9-8-13-12-10(9)6-2/h6,8H,2,5,7H2,1,3-4H3
InChIKeyLDLWZTALJNUIPW-UHFFFAOYSA-N
MW195.33 g/mol
LogP3.86
Rot. Bonds4

About 3-ethenyl-4-(2-methylpentan-2-yl)-1,2-thiazole

3-ethenyl-4-(2-methylpentan-2-yl)-1,2-thiazole (PubChem CID 126549452) has the molecular formula C11H17NS and a molecular weight of 195.33 g/mol. Its IUPAC name is 3-ethenyl-4-(2-methylpentan-2-yl)-1,2-thiazole.

Molecular Properties

Compound Name3-ethenyl-4-(2-methylpentan-2-yl)-1,2-thiazole
PubChem CID126549452
Molecular FormulaC11H17NS
Molecular Weight195.33 g/mol
Exact Mass195.11
IUPAC Name3-ethenyl-4-(2-methylpentan-2-yl)-1,2-thiazole
SMILESC=Cc1nscc1C(C)(C)CCC
InChIInChI=1S/C11H17NS/c1-5-7-11(3,4)9-8-13-12-10(9)6-2/h6,8H,2,5,7H2,1,3-4H3
InChIKeyLDLWZTALJNUIPW-UHFFFAOYSA-N
XLogP3.86
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.33
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-4-(2-methylpentan-2-yl)-1,2-thiazole?
The IUPAC name of 3-ethenyl-4-(2-methylpentan-2-yl)-1,2-thiazole (CID 126549452) is 3-ethenyl-4-(2-methylpentan-2-yl)-1,2-thiazole.
What is the SMILES notation for 3-ethenyl-4-(2-methylpentan-2-yl)-1,2-thiazole?
The canonical SMILES for 3-ethenyl-4-(2-methylpentan-2-yl)-1,2-thiazole is C=Cc1nscc1C(C)(C)CCC.
What is the InChIKey of 3-ethenyl-4-(2-methylpentan-2-yl)-1,2-thiazole?
The InChIKey is LDLWZTALJNUIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NS/c1-5-7-11(3,4)9-8-13-12-10(9)6-2/h6,8H,2,5,7H2,1,3-4H3.
What are the key properties of 3-ethenyl-4-(2-methylpentan-2-yl)-1,2-thiazole?
3-ethenyl-4-(2-methylpentan-2-yl)-1,2-thiazole has a molecular weight of 195.33 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-4-(2-methylpentan-2-yl)-1,2-thiazole is sourced from PubChem (CID 126549452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).