2-methyl-4-(2-methylprop-1-enyl)-1,3-thiazole

C8H11NS — CID 21138094

IUPAC2-methyl-4-(2-methylprop-1-enyl)-1,3-thiazole
SMILESCC(C)=Cc1csc(C)n1
InChIInChI=1S/C8H11NS/c1-6(2)4-8-5-10-7(3)9-8/h4-5H,1-3H3
InChIKeyBYQUMAZWJXVHNL-UHFFFAOYSA-N
MW153.25 g/mol
LogP2.87
Rot. Bonds1

About 2-methyl-4-(2-methylprop-1-enyl)-1,3-thiazole

2-methyl-4-(2-methylprop-1-enyl)-1,3-thiazole (PubChem CID 21138094) has the molecular formula C8H11NS and a molecular weight of 153.25 g/mol. Its IUPAC name is 2-methyl-4-(2-methylprop-1-enyl)-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4-(2-methylprop-1-enyl)-1,3-thiazole
PubChem CID21138094
Molecular FormulaC8H11NS
Molecular Weight153.25 g/mol
Exact Mass153.06
IUPAC Name2-methyl-4-(2-methylprop-1-enyl)-1,3-thiazole
SMILESCC(C)=Cc1csc(C)n1
InChIInChI=1S/C8H11NS/c1-6(2)4-8-5-10-7(3)9-8/h4-5H,1-3H3
InChIKeyBYQUMAZWJXVHNL-UHFFFAOYSA-N
XLogP2.87
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.25
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-methylprop-1-enyl)-1,3-thiazole?
The IUPAC name of 2-methyl-4-(2-methylprop-1-enyl)-1,3-thiazole (CID 21138094) is 2-methyl-4-(2-methylprop-1-enyl)-1,3-thiazole.
What is the SMILES notation for 2-methyl-4-(2-methylprop-1-enyl)-1,3-thiazole?
The canonical SMILES for 2-methyl-4-(2-methylprop-1-enyl)-1,3-thiazole is CC(C)=Cc1csc(C)n1.
What is the InChIKey of 2-methyl-4-(2-methylprop-1-enyl)-1,3-thiazole?
The InChIKey is BYQUMAZWJXVHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NS/c1-6(2)4-8-5-10-7(3)9-8/h4-5H,1-3H3.
What are the key properties of 2-methyl-4-(2-methylprop-1-enyl)-1,3-thiazole?
2-methyl-4-(2-methylprop-1-enyl)-1,3-thiazole has a molecular weight of 153.25 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-methylprop-1-enyl)-1,3-thiazole is sourced from PubChem (CID 21138094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).