2-(3,5-dimethylphenyl)-5-(2-methylpropyl)-1,3-thiazole

C15H19NS — CID 174954862

IUPAC2-(3,5-dimethylphenyl)-5-(2-methylpropyl)-1,3-thiazole
SMILESCc1cc(C)cc(-c2ncc(CC(C)C)s2)c1
InChIInChI=1S/C15H19NS/c1-10(2)5-14-9-16-15(17-14)13-7-11(3)6-12(4)8-13/h6-10H,5H2,1-4H3
InChIKeyBBBZPGHKHXAXDP-UHFFFAOYSA-N
MW245.39 g/mol
LogP4.63
Rot. Bonds3

About 2-(3,5-dimethylphenyl)-5-(2-methylpropyl)-1,3-thiazole

2-(3,5-dimethylphenyl)-5-(2-methylpropyl)-1,3-thiazole (PubChem CID 174954862) has the molecular formula C15H19NS and a molecular weight of 245.39 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-5-(2-methylpropyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)-5-(2-methylpropyl)-1,3-thiazole
PubChem CID174954862
Molecular FormulaC15H19NS
Molecular Weight245.39 g/mol
Exact Mass245.12
IUPAC Name2-(3,5-dimethylphenyl)-5-(2-methylpropyl)-1,3-thiazole
SMILESCc1cc(C)cc(-c2ncc(CC(C)C)s2)c1
InChIInChI=1S/C15H19NS/c1-10(2)5-14-9-16-15(17-14)13-7-11(3)6-12(4)8-13/h6-10H,5H2,1-4H3
InChIKeyBBBZPGHKHXAXDP-UHFFFAOYSA-N
XLogP4.63
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)-5-(2-methylpropyl)-1,3-thiazole?
The IUPAC name of 2-(3,5-dimethylphenyl)-5-(2-methylpropyl)-1,3-thiazole (CID 174954862) is 2-(3,5-dimethylphenyl)-5-(2-methylpropyl)-1,3-thiazole.
What is the SMILES notation for 2-(3,5-dimethylphenyl)-5-(2-methylpropyl)-1,3-thiazole?
The canonical SMILES for 2-(3,5-dimethylphenyl)-5-(2-methylpropyl)-1,3-thiazole is Cc1cc(C)cc(-c2ncc(CC(C)C)s2)c1.
What is the InChIKey of 2-(3,5-dimethylphenyl)-5-(2-methylpropyl)-1,3-thiazole?
The InChIKey is BBBZPGHKHXAXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NS/c1-10(2)5-14-9-16-15(17-14)13-7-11(3)6-12(4)8-13/h6-10H,5H2,1-4H3.
What are the key properties of 2-(3,5-dimethylphenyl)-5-(2-methylpropyl)-1,3-thiazole?
2-(3,5-dimethylphenyl)-5-(2-methylpropyl)-1,3-thiazole has a molecular weight of 245.39 g/mol, XLogP of 4.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenyl)-5-(2-methylpropyl)-1,3-thiazole is sourced from PubChem (CID 174954862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).