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

C11H19NS — CID 55271531

IUPAC5-ethyl-4-methyl-2-pentyl-1,3-thiazole
SMILESCCCCCc1nc(C)c(CC)s1
InChIInChI=1S/C11H19NS/c1-4-6-7-8-11-12-9(3)10(5-2)13-11/h4-8H2,1-3H3
InChIKeyYHXYVNQEOGPEKA-UHFFFAOYSA-N
MW197.35 g/mol
LogP3.75
Rot. Bonds5

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

5-ethyl-4-methyl-2-pentyl-1,3-thiazole (PubChem CID 55271531) has the molecular formula C11H19NS and a molecular weight of 197.35 g/mol. Its IUPAC name is 5-ethyl-4-methyl-2-pentyl-1,3-thiazole.

Molecular Properties

Compound Name5-ethyl-4-methyl-2-pentyl-1,3-thiazole
PubChem CID55271531
Molecular FormulaC11H19NS
Molecular Weight197.35 g/mol
Exact Mass197.12
IUPAC Name5-ethyl-4-methyl-2-pentyl-1,3-thiazole
SMILESCCCCCc1nc(C)c(CC)s1
InChIInChI=1S/C11H19NS/c1-4-6-7-8-11-12-9(3)10(5-2)13-11/h4-8H2,1-3H3
InChIKeyYHXYVNQEOGPEKA-UHFFFAOYSA-N
XLogP3.75
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.35
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-methyl-2-pentyl-1,3-thiazole?
The IUPAC name of 5-ethyl-4-methyl-2-pentyl-1,3-thiazole (CID 55271531) is 5-ethyl-4-methyl-2-pentyl-1,3-thiazole.
What is the SMILES notation for 5-ethyl-4-methyl-2-pentyl-1,3-thiazole?
The canonical SMILES for 5-ethyl-4-methyl-2-pentyl-1,3-thiazole is CCCCCc1nc(C)c(CC)s1.
What is the InChIKey of 5-ethyl-4-methyl-2-pentyl-1,3-thiazole?
The InChIKey is YHXYVNQEOGPEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NS/c1-4-6-7-8-11-12-9(3)10(5-2)13-11/h4-8H2,1-3H3.
What are the key properties of 5-ethyl-4-methyl-2-pentyl-1,3-thiazole?
5-ethyl-4-methyl-2-pentyl-1,3-thiazole has a molecular weight of 197.35 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-methyl-2-pentyl-1,3-thiazole is sourced from PubChem (CID 55271531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).