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

C8H13NS — CID 574813

IUPAC4-methyl-2-(2-methylpropyl)-1,3-thiazole
SMILESCc1csc(CC(C)C)n1
InChIInChI=1S/C8H13NS/c1-6(2)4-8-9-7(3)5-10-8/h5-6H,4H2,1-3H3
InChIKeyJBUCYVMFLWLDIO-UHFFFAOYSA-N
MW155.27 g/mol
LogP2.65
Rot. Bonds2

About 4-methyl-2-(2-methylpropyl)-1,3-thiazole

4-methyl-2-(2-methylpropyl)-1,3-thiazole (PubChem CID 574813) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is 4-methyl-2-(2-methylpropyl)-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-(2-methylpropyl)-1,3-thiazole
PubChem CID574813
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC Name4-methyl-2-(2-methylpropyl)-1,3-thiazole
SMILESCc1csc(CC(C)C)n1
InChIInChI=1S/C8H13NS/c1-6(2)4-8-9-7(3)5-10-8/h5-6H,4H2,1-3H3
InChIKeyJBUCYVMFLWLDIO-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 4-methyl-2-(2-methylpropyl)-1,3-thiazole?
The IUPAC name of 4-methyl-2-(2-methylpropyl)-1,3-thiazole (CID 574813) is 4-methyl-2-(2-methylpropyl)-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-(2-methylpropyl)-1,3-thiazole?
The canonical SMILES for 4-methyl-2-(2-methylpropyl)-1,3-thiazole is Cc1csc(CC(C)C)n1.
What is the InChIKey of 4-methyl-2-(2-methylpropyl)-1,3-thiazole?
The InChIKey is JBUCYVMFLWLDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NS/c1-6(2)4-8-9-7(3)5-10-8/h5-6H,4H2,1-3H3.
What are the key properties of 4-methyl-2-(2-methylpropyl)-1,3-thiazole?
4-methyl-2-(2-methylpropyl)-1,3-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 4-methyl-2-(2-methylpropyl)-1,3-thiazole is sourced from PubChem (CID 574813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).