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

C13H23NS — CID 71405846

IUPAC4-ethyl-2-heptyl-5-methyl-1,3-thiazole
SMILESCCCCCCCc1nc(CC)c(C)s1
InChIInChI=1S/C13H23NS/c1-4-6-7-8-9-10-13-14-12(5-2)11(3)15-13/h4-10H2,1-3H3
InChIKeySSLICXPSYONSAZ-UHFFFAOYSA-N
MW225.40 g/mol
LogP4.53
Rot. Bonds7

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

4-ethyl-2-heptyl-5-methyl-1,3-thiazole (PubChem CID 71405846) has the molecular formula C13H23NS and a molecular weight of 225.40 g/mol. Its IUPAC name is 4-ethyl-2-heptyl-5-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-ethyl-2-heptyl-5-methyl-1,3-thiazole
PubChem CID71405846
Molecular FormulaC13H23NS
Molecular Weight225.40 g/mol
Exact Mass225.16
IUPAC Name4-ethyl-2-heptyl-5-methyl-1,3-thiazole
SMILESCCCCCCCc1nc(CC)c(C)s1
InChIInChI=1S/C13H23NS/c1-4-6-7-8-9-10-13-14-12(5-2)11(3)15-13/h4-10H2,1-3H3
InChIKeySSLICXPSYONSAZ-UHFFFAOYSA-N
XLogP4.53
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.40
LogP ≤ 54.53
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 4-ethyl-2-heptyl-5-methyl-1,3-thiazole?
The IUPAC name of 4-ethyl-2-heptyl-5-methyl-1,3-thiazole (CID 71405846) is 4-ethyl-2-heptyl-5-methyl-1,3-thiazole.
What is the SMILES notation for 4-ethyl-2-heptyl-5-methyl-1,3-thiazole?
The canonical SMILES for 4-ethyl-2-heptyl-5-methyl-1,3-thiazole is CCCCCCCc1nc(CC)c(C)s1.
What is the InChIKey of 4-ethyl-2-heptyl-5-methyl-1,3-thiazole?
The InChIKey is SSLICXPSYONSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NS/c1-4-6-7-8-9-10-13-14-12(5-2)11(3)15-13/h4-10H2,1-3H3.
What are the key properties of 4-ethyl-2-heptyl-5-methyl-1,3-thiazole?
4-ethyl-2-heptyl-5-methyl-1,3-thiazole has a molecular weight of 225.40 g/mol, XLogP of 4.53, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-heptyl-5-methyl-1,3-thiazole is sourced from PubChem (CID 71405846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).