(4S)-4-phenyl-4,5-dihydro-1,3-thiazole

C9H9NS — CID 174834483

IUPAC(4S)-4-phenyl-4,5-dihydro-1,3-thiazole
SMILESC1=N[C@@H](c2ccccc2)CS1
InChIInChI=1S/C9H9NS/c1-2-4-8(5-3-1)9-6-11-7-10-9/h1-5,7,9H,6H2/t9-/m1/s1
InChIKeyCMIWIRFHWMTUFP-SECBINFHSA-N
MW163.25 g/mol
LogP2.50
Rot. Bonds1

About (4S)-4-phenyl-4,5-dihydro-1,3-thiazole

(4S)-4-phenyl-4,5-dihydro-1,3-thiazole (PubChem CID 174834483) has the molecular formula C9H9NS and a molecular weight of 163.25 g/mol. Its IUPAC name is (4S)-4-phenyl-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name(4S)-4-phenyl-4,5-dihydro-1,3-thiazole
PubChem CID174834483
Molecular FormulaC9H9NS
Molecular Weight163.25 g/mol
Exact Mass163.05
IUPAC Name(4S)-4-phenyl-4,5-dihydro-1,3-thiazole
SMILESC1=N[C@@H](c2ccccc2)CS1
InChIInChI=1S/C9H9NS/c1-2-4-8(5-3-1)9-6-11-7-10-9/h1-5,7,9H,6H2/t9-/m1/s1
InChIKeyCMIWIRFHWMTUFP-SECBINFHSA-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 (4S)-4-phenyl-4,5-dihydro-1,3-thiazole?
The IUPAC name of (4S)-4-phenyl-4,5-dihydro-1,3-thiazole (CID 174834483) is (4S)-4-phenyl-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for (4S)-4-phenyl-4,5-dihydro-1,3-thiazole?
The canonical SMILES for (4S)-4-phenyl-4,5-dihydro-1,3-thiazole is C1=N[C@@H](c2ccccc2)CS1.
What is the InChIKey of (4S)-4-phenyl-4,5-dihydro-1,3-thiazole?
The InChIKey is CMIWIRFHWMTUFP-SECBINFHSA-N. The full InChI is InChI=1S/C9H9NS/c1-2-4-8(5-3-1)9-6-11-7-10-9/h1-5,7,9H,6H2/t9-/m1/s1.
What are the key properties of (4S)-4-phenyl-4,5-dihydro-1,3-thiazole?
(4S)-4-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 (4S)-4-phenyl-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 174834483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).