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

C9H15NS — CID 587855

IUPAC4-ethyl-2-methyl-5-propyl-1,3-thiazole
SMILESCCCc1sc(C)nc1CC
InChIInChI=1S/C9H15NS/c1-4-6-9-8(5-2)10-7(3)11-9/h4-6H2,1-3H3
InChIKeyJDGOETBULMDHIE-UHFFFAOYSA-N
MW169.29 g/mol
LogP2.97
Rot. Bonds3

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

4-ethyl-2-methyl-5-propyl-1,3-thiazole (PubChem CID 587855) has the molecular formula C9H15NS and a molecular weight of 169.29 g/mol. Its IUPAC name is 4-ethyl-2-methyl-5-propyl-1,3-thiazole.

Molecular Properties

Compound Name4-ethyl-2-methyl-5-propyl-1,3-thiazole
PubChem CID587855
Molecular FormulaC9H15NS
Molecular Weight169.29 g/mol
Exact Mass169.09
IUPAC Name4-ethyl-2-methyl-5-propyl-1,3-thiazole
SMILESCCCc1sc(C)nc1CC
InChIInChI=1S/C9H15NS/c1-4-6-9-8(5-2)10-7(3)11-9/h4-6H2,1-3H3
InChIKeyJDGOETBULMDHIE-UHFFFAOYSA-N
XLogP2.97
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.29
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methyl-5-propyl-1,3-thiazole?
The IUPAC name of 4-ethyl-2-methyl-5-propyl-1,3-thiazole (CID 587855) is 4-ethyl-2-methyl-5-propyl-1,3-thiazole.
What is the SMILES notation for 4-ethyl-2-methyl-5-propyl-1,3-thiazole?
The canonical SMILES for 4-ethyl-2-methyl-5-propyl-1,3-thiazole is CCCc1sc(C)nc1CC.
What is the InChIKey of 4-ethyl-2-methyl-5-propyl-1,3-thiazole?
The InChIKey is JDGOETBULMDHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NS/c1-4-6-9-8(5-2)10-7(3)11-9/h4-6H2,1-3H3.
What are the key properties of 4-ethyl-2-methyl-5-propyl-1,3-thiazole?
4-ethyl-2-methyl-5-propyl-1,3-thiazole has a molecular weight of 169.29 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methyl-5-propyl-1,3-thiazole is sourced from PubChem (CID 587855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).