5-phenyl-4,5-dihydro-1,3-thiazole

C9H9NS — CID 22220895

IUPAC5-phenyl-4,5-dihydro-1,3-thiazole
SMILESC1=NCC(c2ccccc2)S1
InChIInChI=1S/C9H9NS/c1-2-4-8(5-3-1)9-6-10-7-11-9/h1-5,7,9H,6H2
InChIKeyDKHDBUPSCHARCG-UHFFFAOYSA-N
MW163.25 g/mol
LogP2.50
Rot. Bonds1

About 5-phenyl-4,5-dihydro-1,3-thiazole

5-phenyl-4,5-dihydro-1,3-thiazole (PubChem CID 22220895) has the molecular formula C9H9NS and a molecular weight of 163.25 g/mol. Its IUPAC name is 5-phenyl-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name5-phenyl-4,5-dihydro-1,3-thiazole
PubChem CID22220895
Molecular FormulaC9H9NS
Molecular Weight163.25 g/mol
Exact Mass163.05
IUPAC Name5-phenyl-4,5-dihydro-1,3-thiazole
SMILESC1=NCC(c2ccccc2)S1
InChIInChI=1S/C9H9NS/c1-2-4-8(5-3-1)9-6-10-7-11-9/h1-5,7,9H,6H2
InChIKeyDKHDBUPSCHARCG-UHFFFAOYSA-N
XLogP2.50
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.25
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-4,5-dihydro-1,3-thiazole?
The IUPAC name of 5-phenyl-4,5-dihydro-1,3-thiazole (CID 22220895) is 5-phenyl-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 5-phenyl-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 5-phenyl-4,5-dihydro-1,3-thiazole is C1=NCC(c2ccccc2)S1.
What is the InChIKey of 5-phenyl-4,5-dihydro-1,3-thiazole?
The InChIKey is DKHDBUPSCHARCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NS/c1-2-4-8(5-3-1)9-6-10-7-11-9/h1-5,7,9H,6H2.
What are the key properties of 5-phenyl-4,5-dihydro-1,3-thiazole?
5-phenyl-4,5-dihydro-1,3-thiazole has a molecular weight of 163.25 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 22220895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).