4,5-dimethyl-2-pentyl-1,3-thiazole

C10H17NS — CID 86065201

IUPAC4,5-dimethyl-2-pentyl-1,3-thiazole
SMILESCCCCCc1nc(C)c(C)s1
InChIInChI=1S/C10H17NS/c1-4-5-6-7-10-11-8(2)9(3)12-10/h4-7H2,1-3H3
InChIKeyVKEZOMGNMKPHCY-UHFFFAOYSA-N
MW183.32 g/mol
LogP3.49
Rot. Bonds4

About 4,5-dimethyl-2-pentyl-1,3-thiazole

4,5-dimethyl-2-pentyl-1,3-thiazole (PubChem CID 86065201) has the molecular formula C10H17NS and a molecular weight of 183.32 g/mol. Its IUPAC name is 4,5-dimethyl-2-pentyl-1,3-thiazole.

Molecular Properties

Compound Name4,5-dimethyl-2-pentyl-1,3-thiazole
PubChem CID86065201
Molecular FormulaC10H17NS
Molecular Weight183.32 g/mol
Exact Mass183.11
IUPAC Name4,5-dimethyl-2-pentyl-1,3-thiazole
SMILESCCCCCc1nc(C)c(C)s1
InChIInChI=1S/C10H17NS/c1-4-5-6-7-10-11-8(2)9(3)12-10/h4-7H2,1-3H3
InChIKeyVKEZOMGNMKPHCY-UHFFFAOYSA-N
XLogP3.49
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 ≤ 53.49
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 4,5-dimethyl-2-pentyl-1,3-thiazole?
The IUPAC name of 4,5-dimethyl-2-pentyl-1,3-thiazole (CID 86065201) is 4,5-dimethyl-2-pentyl-1,3-thiazole.
What is the SMILES notation for 4,5-dimethyl-2-pentyl-1,3-thiazole?
The canonical SMILES for 4,5-dimethyl-2-pentyl-1,3-thiazole is CCCCCc1nc(C)c(C)s1.
What is the InChIKey of 4,5-dimethyl-2-pentyl-1,3-thiazole?
The InChIKey is VKEZOMGNMKPHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NS/c1-4-5-6-7-10-11-8(2)9(3)12-10/h4-7H2,1-3H3.
What are the key properties of 4,5-dimethyl-2-pentyl-1,3-thiazole?
4,5-dimethyl-2-pentyl-1,3-thiazole has a molecular weight of 183.32 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-pentyl-1,3-thiazole is sourced from PubChem (CID 86065201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).