4-phenyl-2,3-dihydro-1,3-thiazole

C9H9NS — CID 20564314

IUPAC4-phenyl-2,3-dihydro-1,3-thiazole
SMILESC1=C(c2ccccc2)NCS1
InChIInChI=1S/C9H9NS/c1-2-4-8(5-3-1)9-6-11-7-10-9/h1-6,10H,7H2
InChIKeyXNGRLKNPRQMYPK-UHFFFAOYSA-N
MW163.25 g/mol
LogP2.28
Rot. Bonds1

About 4-phenyl-2,3-dihydro-1,3-thiazole

4-phenyl-2,3-dihydro-1,3-thiazole (PubChem CID 20564314) has the molecular formula C9H9NS and a molecular weight of 163.25 g/mol. Its IUPAC name is 4-phenyl-2,3-dihydro-1,3-thiazole.

Molecular Properties

Compound Name4-phenyl-2,3-dihydro-1,3-thiazole
PubChem CID20564314
Molecular FormulaC9H9NS
Molecular Weight163.25 g/mol
Exact Mass163.05
IUPAC Name4-phenyl-2,3-dihydro-1,3-thiazole
SMILESC1=C(c2ccccc2)NCS1
InChIInChI=1S/C9H9NS/c1-2-4-8(5-3-1)9-6-11-7-10-9/h1-6,10H,7H2
InChIKeyXNGRLKNPRQMYPK-UHFFFAOYSA-N
XLogP2.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.25
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2,3-dihydro-1,3-thiazole?
The IUPAC name of 4-phenyl-2,3-dihydro-1,3-thiazole (CID 20564314) is 4-phenyl-2,3-dihydro-1,3-thiazole.
What is the SMILES notation for 4-phenyl-2,3-dihydro-1,3-thiazole?
The canonical SMILES for 4-phenyl-2,3-dihydro-1,3-thiazole is C1=C(c2ccccc2)NCS1.
What is the InChIKey of 4-phenyl-2,3-dihydro-1,3-thiazole?
The InChIKey is XNGRLKNPRQMYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NS/c1-2-4-8(5-3-1)9-6-11-7-10-9/h1-6,10H,7H2.
What are the key properties of 4-phenyl-2,3-dihydro-1,3-thiazole?
4-phenyl-2,3-dihydro-1,3-thiazole has a molecular weight of 163.25 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2,3-dihydro-1,3-thiazole is sourced from PubChem (CID 20564314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).