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

C9H15NS — CID 55296073

IUPAC5-methyl-2-pentyl-1,3-thiazole
SMILESCCCCCc1ncc(C)s1
InChIInChI=1S/C9H15NS/c1-3-4-5-6-9-10-7-8(2)11-9/h7H,3-6H2,1-2H3
InChIKeyNEZJGDWWXKETPZ-UHFFFAOYSA-N
MW169.29 g/mol
LogP3.18
Rot. Bonds4

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

5-methyl-2-pentyl-1,3-thiazole (PubChem CID 55296073) has the molecular formula C9H15NS and a molecular weight of 169.29 g/mol. Its IUPAC name is 5-methyl-2-pentyl-1,3-thiazole.

Molecular Properties

Compound Name5-methyl-2-pentyl-1,3-thiazole
PubChem CID55296073
Molecular FormulaC9H15NS
Molecular Weight169.29 g/mol
Exact Mass169.09
IUPAC Name5-methyl-2-pentyl-1,3-thiazole
SMILESCCCCCc1ncc(C)s1
InChIInChI=1S/C9H15NS/c1-3-4-5-6-9-10-7-8(2)11-9/h7H,3-6H2,1-2H3
InChIKeyNEZJGDWWXKETPZ-UHFFFAOYSA-N
XLogP3.18
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.29
LogP ≤ 53.18
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-methyl-2-pentyl-1,3-thiazole?
The IUPAC name of 5-methyl-2-pentyl-1,3-thiazole (CID 55296073) is 5-methyl-2-pentyl-1,3-thiazole.
What is the SMILES notation for 5-methyl-2-pentyl-1,3-thiazole?
The canonical SMILES for 5-methyl-2-pentyl-1,3-thiazole is CCCCCc1ncc(C)s1.
What is the InChIKey of 5-methyl-2-pentyl-1,3-thiazole?
The InChIKey is NEZJGDWWXKETPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NS/c1-3-4-5-6-9-10-7-8(2)11-9/h7H,3-6H2,1-2H3.
What are the key properties of 5-methyl-2-pentyl-1,3-thiazole?
5-methyl-2-pentyl-1,3-thiazole has a molecular weight of 169.29 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-pentyl-1,3-thiazole is sourced from PubChem (CID 55296073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).