3-methyl-5-(2-methylpropyl)-1,2-thiazole

C8H13NS — CID 58357255

IUPAC3-methyl-5-(2-methylpropyl)-1,2-thiazole
SMILESCc1cc(CC(C)C)sn1
InChIInChI=1S/C8H13NS/c1-6(2)4-8-5-7(3)9-10-8/h5-6H,4H2,1-3H3
InChIKeyDBHYNITUVNJFBI-UHFFFAOYSA-N
MW155.27 g/mol
LogP2.65
Rot. Bonds2

About 3-methyl-5-(2-methylpropyl)-1,2-thiazole

3-methyl-5-(2-methylpropyl)-1,2-thiazole (PubChem CID 58357255) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is 3-methyl-5-(2-methylpropyl)-1,2-thiazole.

Molecular Properties

Compound Name3-methyl-5-(2-methylpropyl)-1,2-thiazole
PubChem CID58357255
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC Name3-methyl-5-(2-methylpropyl)-1,2-thiazole
SMILESCc1cc(CC(C)C)sn1
InChIInChI=1S/C8H13NS/c1-6(2)4-8-5-7(3)9-10-8/h5-6H,4H2,1-3H3
InChIKeyDBHYNITUVNJFBI-UHFFFAOYSA-N
XLogP2.65
TPSA12.89 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 ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(2-methylpropyl)-1,2-thiazole?
The IUPAC name of 3-methyl-5-(2-methylpropyl)-1,2-thiazole (CID 58357255) is 3-methyl-5-(2-methylpropyl)-1,2-thiazole.
What is the SMILES notation for 3-methyl-5-(2-methylpropyl)-1,2-thiazole?
The canonical SMILES for 3-methyl-5-(2-methylpropyl)-1,2-thiazole is Cc1cc(CC(C)C)sn1.
What is the InChIKey of 3-methyl-5-(2-methylpropyl)-1,2-thiazole?
The InChIKey is DBHYNITUVNJFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NS/c1-6(2)4-8-5-7(3)9-10-8/h5-6H,4H2,1-3H3.
What are the key properties of 3-methyl-5-(2-methylpropyl)-1,2-thiazole?
3-methyl-5-(2-methylpropyl)-1,2-thiazole has a molecular weight of 155.27 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(2-methylpropyl)-1,2-thiazole is sourced from PubChem (CID 58357255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).