2-(3-methoxypropyl)-4-(2-methylphenyl)-1,3-thiazole

C14H17NOS — CID 86845405

IUPAC2-(3-methoxypropyl)-4-(2-methylphenyl)-1,3-thiazole
SMILESCOCCCc1nc(-c2ccccc2C)cs1
InChIInChI=1S/C14H17NOS/c1-11-6-3-4-7-12(11)13-10-17-14(15-13)8-5-9-16-2/h3-4,6-7,10H,5,8-9H2,1-2H3
InChIKeyDWIGQEYYLSTCLA-UHFFFAOYSA-N
MW247.36 g/mol
LogP3.70
Rot. Bonds5

About 2-(3-methoxypropyl)-4-(2-methylphenyl)-1,3-thiazole

2-(3-methoxypropyl)-4-(2-methylphenyl)-1,3-thiazole (PubChem CID 86845405) has the molecular formula C14H17NOS and a molecular weight of 247.36 g/mol. Its IUPAC name is 2-(3-methoxypropyl)-4-(2-methylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(3-methoxypropyl)-4-(2-methylphenyl)-1,3-thiazole
PubChem CID86845405
Molecular FormulaC14H17NOS
Molecular Weight247.36 g/mol
Exact Mass247.10
IUPAC Name2-(3-methoxypropyl)-4-(2-methylphenyl)-1,3-thiazole
SMILESCOCCCc1nc(-c2ccccc2C)cs1
InChIInChI=1S/C14H17NOS/c1-11-6-3-4-7-12(11)13-10-17-14(15-13)8-5-9-16-2/h3-4,6-7,10H,5,8-9H2,1-2H3
InChIKeyDWIGQEYYLSTCLA-UHFFFAOYSA-N
XLogP3.70
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-(3-methoxypropyl)-4-(2-methylphenyl)-1,3-thiazole?
The IUPAC name of 2-(3-methoxypropyl)-4-(2-methylphenyl)-1,3-thiazole (CID 86845405) is 2-(3-methoxypropyl)-4-(2-methylphenyl)-1,3-thiazole.
What is the SMILES notation for 2-(3-methoxypropyl)-4-(2-methylphenyl)-1,3-thiazole?
The canonical SMILES for 2-(3-methoxypropyl)-4-(2-methylphenyl)-1,3-thiazole is COCCCc1nc(-c2ccccc2C)cs1.
What is the InChIKey of 2-(3-methoxypropyl)-4-(2-methylphenyl)-1,3-thiazole?
The InChIKey is DWIGQEYYLSTCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NOS/c1-11-6-3-4-7-12(11)13-10-17-14(15-13)8-5-9-16-2/h3-4,6-7,10H,5,8-9H2,1-2H3.
What are the key properties of 2-(3-methoxypropyl)-4-(2-methylphenyl)-1,3-thiazole?
2-(3-methoxypropyl)-4-(2-methylphenyl)-1,3-thiazole has a molecular weight of 247.36 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropyl)-4-(2-methylphenyl)-1,3-thiazole is sourced from PubChem (CID 86845405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).