5-butyl-2-phenyl-1,3-thiazole

C13H15NS — CID 67548106

IUPAC5-butyl-2-phenyl-1,3-thiazole
SMILESCCCCc1cnc(-c2ccccc2)s1
InChIInChI=1S/C13H15NS/c1-2-3-9-12-10-14-13(15-12)11-7-5-4-6-8-11/h4-8,10H,2-3,9H2,1H3
InChIKeyKQSLYYXRBXPXCG-UHFFFAOYSA-N
MW217.34 g/mol
LogP4.15
Rot. Bonds4

About 5-butyl-2-phenyl-1,3-thiazole

5-butyl-2-phenyl-1,3-thiazole (PubChem CID 67548106) has the molecular formula C13H15NS and a molecular weight of 217.34 g/mol. Its IUPAC name is 5-butyl-2-phenyl-1,3-thiazole.

Molecular Properties

Compound Name5-butyl-2-phenyl-1,3-thiazole
PubChem CID67548106
Molecular FormulaC13H15NS
Molecular Weight217.34 g/mol
Exact Mass217.09
IUPAC Name5-butyl-2-phenyl-1,3-thiazole
SMILESCCCCc1cnc(-c2ccccc2)s1
InChIInChI=1S/C13H15NS/c1-2-3-9-12-10-14-13(15-12)11-7-5-4-6-8-11/h4-8,10H,2-3,9H2,1H3
InChIKeyKQSLYYXRBXPXCG-UHFFFAOYSA-N
XLogP4.15
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.34
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-phenyl-1,3-thiazole?
The IUPAC name of 5-butyl-2-phenyl-1,3-thiazole (CID 67548106) is 5-butyl-2-phenyl-1,3-thiazole.
What is the SMILES notation for 5-butyl-2-phenyl-1,3-thiazole?
The canonical SMILES for 5-butyl-2-phenyl-1,3-thiazole is CCCCc1cnc(-c2ccccc2)s1.
What is the InChIKey of 5-butyl-2-phenyl-1,3-thiazole?
The InChIKey is KQSLYYXRBXPXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NS/c1-2-3-9-12-10-14-13(15-12)11-7-5-4-6-8-11/h4-8,10H,2-3,9H2,1H3.
What are the key properties of 5-butyl-2-phenyl-1,3-thiazole?
5-butyl-2-phenyl-1,3-thiazole has a molecular weight of 217.34 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-phenyl-1,3-thiazole is sourced from PubChem (CID 67548106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).