5-butyl-2-methyl-1,3-thiazole

C8H13NS — CID 54173433

IUPAC5-butyl-2-methyl-1,3-thiazole
SMILESCCCCc1cnc(C)s1
InChIInChI=1S/C8H13NS/c1-3-4-5-8-6-9-7(2)10-8/h6H,3-5H2,1-2H3
InChIKeyXUPMMCMDZAOKGY-UHFFFAOYSA-N
MW155.27 g/mol
LogP2.79
Rot. Bonds3

About 5-butyl-2-methyl-1,3-thiazole

5-butyl-2-methyl-1,3-thiazole (PubChem CID 54173433) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is 5-butyl-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-butyl-2-methyl-1,3-thiazole
PubChem CID54173433
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC Name5-butyl-2-methyl-1,3-thiazole
SMILESCCCCc1cnc(C)s1
InChIInChI=1S/C8H13NS/c1-3-4-5-8-6-9-7(2)10-8/h6H,3-5H2,1-2H3
InChIKeyXUPMMCMDZAOKGY-UHFFFAOYSA-N
XLogP2.79
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.27
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-methyl-1,3-thiazole?
The IUPAC name of 5-butyl-2-methyl-1,3-thiazole (CID 54173433) is 5-butyl-2-methyl-1,3-thiazole.
What is the SMILES notation for 5-butyl-2-methyl-1,3-thiazole?
The canonical SMILES for 5-butyl-2-methyl-1,3-thiazole is CCCCc1cnc(C)s1.
What is the InChIKey of 5-butyl-2-methyl-1,3-thiazole?
The InChIKey is XUPMMCMDZAOKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NS/c1-3-4-5-8-6-9-7(2)10-8/h6H,3-5H2,1-2H3.
What are the key properties of 5-butyl-2-methyl-1,3-thiazole?
5-butyl-2-methyl-1,3-thiazole has a molecular weight of 155.27 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-methyl-1,3-thiazole is sourced from PubChem (CID 54173433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).