2-methyl-5-phenyl-4-propyl-1,3-thiazole

C13H15NS — CID 90764041

IUPAC2-methyl-5-phenyl-4-propyl-1,3-thiazole
SMILESCCCc1nc(C)sc1-c1ccccc1
InChIInChI=1S/C13H15NS/c1-3-7-12-13(15-10(2)14-12)11-8-5-4-6-9-11/h4-6,8-9H,3,7H2,1-2H3
InChIKeyKESHEEGPXXJXOF-UHFFFAOYSA-N
MW217.34 g/mol
LogP4.07
Rot. Bonds3

About 2-methyl-5-phenyl-4-propyl-1,3-thiazole

2-methyl-5-phenyl-4-propyl-1,3-thiazole (PubChem CID 90764041) has the molecular formula C13H15NS and a molecular weight of 217.34 g/mol. Its IUPAC name is 2-methyl-5-phenyl-4-propyl-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-5-phenyl-4-propyl-1,3-thiazole
PubChem CID90764041
Molecular FormulaC13H15NS
Molecular Weight217.34 g/mol
Exact Mass217.09
IUPAC Name2-methyl-5-phenyl-4-propyl-1,3-thiazole
SMILESCCCc1nc(C)sc1-c1ccccc1
InChIInChI=1S/C13H15NS/c1-3-7-12-13(15-10(2)14-12)11-8-5-4-6-9-11/h4-6,8-9H,3,7H2,1-2H3
InChIKeyKESHEEGPXXJXOF-UHFFFAOYSA-N
XLogP4.07
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.34
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-phenyl-4-propyl-1,3-thiazole?
The IUPAC name of 2-methyl-5-phenyl-4-propyl-1,3-thiazole (CID 90764041) is 2-methyl-5-phenyl-4-propyl-1,3-thiazole.
What is the SMILES notation for 2-methyl-5-phenyl-4-propyl-1,3-thiazole?
The canonical SMILES for 2-methyl-5-phenyl-4-propyl-1,3-thiazole is CCCc1nc(C)sc1-c1ccccc1.
What is the InChIKey of 2-methyl-5-phenyl-4-propyl-1,3-thiazole?
The InChIKey is KESHEEGPXXJXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NS/c1-3-7-12-13(15-10(2)14-12)11-8-5-4-6-9-11/h4-6,8-9H,3,7H2,1-2H3.
What are the key properties of 2-methyl-5-phenyl-4-propyl-1,3-thiazole?
2-methyl-5-phenyl-4-propyl-1,3-thiazole has a molecular weight of 217.34 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-phenyl-4-propyl-1,3-thiazole is sourced from PubChem (CID 90764041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).