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

C10H17NS — CID 86124640

IUPAC4-butyl-2-ethyl-5-methyl-1,3-thiazole
SMILESCCCCc1nc(CC)sc1C
InChIInChI=1S/C10H17NS/c1-4-6-7-9-8(3)12-10(5-2)11-9/h4-7H2,1-3H3
InChIKeyMMIJPCYXLZBTSY-UHFFFAOYSA-N
MW183.32 g/mol
LogP3.36
Rot. Bonds4

About 4-butyl-2-ethyl-5-methyl-1,3-thiazole

4-butyl-2-ethyl-5-methyl-1,3-thiazole (PubChem CID 86124640) has the molecular formula C10H17NS and a molecular weight of 183.32 g/mol. Its IUPAC name is 4-butyl-2-ethyl-5-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-butyl-2-ethyl-5-methyl-1,3-thiazole
PubChem CID86124640
Molecular FormulaC10H17NS
Molecular Weight183.32 g/mol
Exact Mass183.11
IUPAC Name4-butyl-2-ethyl-5-methyl-1,3-thiazole
SMILESCCCCc1nc(CC)sc1C
InChIInChI=1S/C10H17NS/c1-4-6-7-9-8(3)12-10(5-2)11-9/h4-7H2,1-3H3
InChIKeyMMIJPCYXLZBTSY-UHFFFAOYSA-N
XLogP3.36
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.32
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-2-ethyl-5-methyl-1,3-thiazole?
The IUPAC name of 4-butyl-2-ethyl-5-methyl-1,3-thiazole (CID 86124640) is 4-butyl-2-ethyl-5-methyl-1,3-thiazole.
What is the SMILES notation for 4-butyl-2-ethyl-5-methyl-1,3-thiazole?
The canonical SMILES for 4-butyl-2-ethyl-5-methyl-1,3-thiazole is CCCCc1nc(CC)sc1C.
What is the InChIKey of 4-butyl-2-ethyl-5-methyl-1,3-thiazole?
The InChIKey is MMIJPCYXLZBTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NS/c1-4-6-7-9-8(3)12-10(5-2)11-9/h4-7H2,1-3H3.
What are the key properties of 4-butyl-2-ethyl-5-methyl-1,3-thiazole?
4-butyl-2-ethyl-5-methyl-1,3-thiazole has a molecular weight of 183.32 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-2-ethyl-5-methyl-1,3-thiazole is sourced from PubChem (CID 86124640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).