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

C12H13NS — CID 24751705

IUPAC5-phenyl-2-propyl-1,3-thiazole
SMILESCCCc1ncc(-c2ccccc2)s1
InChIInChI=1S/C12H13NS/c1-2-6-12-13-9-11(14-12)10-7-4-3-5-8-10/h3-5,7-9H,2,6H2,1H3
InChIKeyUKFNUMLHLDLGMX-UHFFFAOYSA-N
MW203.31 g/mol
LogP3.76
Rot. Bonds3

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

5-phenyl-2-propyl-1,3-thiazole (PubChem CID 24751705) has the molecular formula C12H13NS and a molecular weight of 203.31 g/mol. Its IUPAC name is 5-phenyl-2-propyl-1,3-thiazole.

Molecular Properties

Compound Name5-phenyl-2-propyl-1,3-thiazole
PubChem CID24751705
Molecular FormulaC12H13NS
Molecular Weight203.31 g/mol
Exact Mass203.08
IUPAC Name5-phenyl-2-propyl-1,3-thiazole
SMILESCCCc1ncc(-c2ccccc2)s1
InChIInChI=1S/C12H13NS/c1-2-6-12-13-9-11(14-12)10-7-4-3-5-8-10/h3-5,7-9H,2,6H2,1H3
InChIKeyUKFNUMLHLDLGMX-UHFFFAOYSA-N
XLogP3.76
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-propyl-1,3-thiazole?
The IUPAC name of 5-phenyl-2-propyl-1,3-thiazole (CID 24751705) is 5-phenyl-2-propyl-1,3-thiazole.
What is the SMILES notation for 5-phenyl-2-propyl-1,3-thiazole?
The canonical SMILES for 5-phenyl-2-propyl-1,3-thiazole is CCCc1ncc(-c2ccccc2)s1.
What is the InChIKey of 5-phenyl-2-propyl-1,3-thiazole?
The InChIKey is UKFNUMLHLDLGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NS/c1-2-6-12-13-9-11(14-12)10-7-4-3-5-8-10/h3-5,7-9H,2,6H2,1H3.
What are the key properties of 5-phenyl-2-propyl-1,3-thiazole?
5-phenyl-2-propyl-1,3-thiazole has a molecular weight of 203.31 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2-propyl-1,3-thiazole is sourced from PubChem (CID 24751705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).