4-(4-tert-butylphenyl)-2-(3-methoxypropyl)-5-methyl-1,3-thiazole

C18H25NOS — CID 60587964

IUPAC4-(4-tert-butylphenyl)-2-(3-methoxypropyl)-5-methyl-1,3-thiazole
SMILESCOCCCc1nc(-c2ccc(C(C)(C)C)cc2)c(C)s1
InChIInChI=1S/C18H25NOS/c1-13-17(19-16(21-13)7-6-12-20-5)14-8-10-15(11-9-14)18(2,3)4/h8-11H,6-7,12H2,1-5H3
InChIKeyYLOHNNINQAHGRD-UHFFFAOYSA-N
MW303.47 g/mol
LogP5.00
Rot. Bonds5

About 4-(4-tert-butylphenyl)-2-(3-methoxypropyl)-5-methyl-1,3-thiazole

4-(4-tert-butylphenyl)-2-(3-methoxypropyl)-5-methyl-1,3-thiazole (PubChem CID 60587964) has the molecular formula C18H25NOS and a molecular weight of 303.47 g/mol. Its IUPAC name is 4-(4-tert-butylphenyl)-2-(3-methoxypropyl)-5-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-(4-tert-butylphenyl)-2-(3-methoxypropyl)-5-methyl-1,3-thiazole
PubChem CID60587964
Molecular FormulaC18H25NOS
Molecular Weight303.47 g/mol
Exact Mass303.17
IUPAC Name4-(4-tert-butylphenyl)-2-(3-methoxypropyl)-5-methyl-1,3-thiazole
SMILESCOCCCc1nc(-c2ccc(C(C)(C)C)cc2)c(C)s1
InChIInChI=1S/C18H25NOS/c1-13-17(19-16(21-13)7-6-12-20-5)14-8-10-15(11-9-14)18(2,3)4/h8-11H,6-7,12H2,1-5H3
InChIKeyYLOHNNINQAHGRD-UHFFFAOYSA-N
XLogP5.00
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 55.00
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 4-(4-tert-butylphenyl)-2-(3-methoxypropyl)-5-methyl-1,3-thiazole?
The IUPAC name of 4-(4-tert-butylphenyl)-2-(3-methoxypropyl)-5-methyl-1,3-thiazole (CID 60587964) is 4-(4-tert-butylphenyl)-2-(3-methoxypropyl)-5-methyl-1,3-thiazole.
What is the SMILES notation for 4-(4-tert-butylphenyl)-2-(3-methoxypropyl)-5-methyl-1,3-thiazole?
The canonical SMILES for 4-(4-tert-butylphenyl)-2-(3-methoxypropyl)-5-methyl-1,3-thiazole is COCCCc1nc(-c2ccc(C(C)(C)C)cc2)c(C)s1.
What is the InChIKey of 4-(4-tert-butylphenyl)-2-(3-methoxypropyl)-5-methyl-1,3-thiazole?
The InChIKey is YLOHNNINQAHGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NOS/c1-13-17(19-16(21-13)7-6-12-20-5)14-8-10-15(11-9-14)18(2,3)4/h8-11H,6-7,12H2,1-5H3.
What are the key properties of 4-(4-tert-butylphenyl)-2-(3-methoxypropyl)-5-methyl-1,3-thiazole?
4-(4-tert-butylphenyl)-2-(3-methoxypropyl)-5-methyl-1,3-thiazole has a molecular weight of 303.47 g/mol, XLogP of 5.00, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenyl)-2-(3-methoxypropyl)-5-methyl-1,3-thiazole is sourced from PubChem (CID 60587964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).