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

C10H11NS — CID 22220894

IUPAC4-methyl-5-phenyl-4,5-dihydro-1,3-thiazole
SMILESCC1N=CSC1c1ccccc1
InChIInChI=1S/C10H11NS/c1-8-10(12-7-11-8)9-5-3-2-4-6-9/h2-8,10H,1H3
InChIKeyPLNVDMNZDQDGAR-UHFFFAOYSA-N
MW177.27 g/mol
LogP2.89
Rot. Bonds1

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

4-methyl-5-phenyl-4,5-dihydro-1,3-thiazole (PubChem CID 22220894) has the molecular formula C10H11NS and a molecular weight of 177.27 g/mol. Its IUPAC name is 4-methyl-5-phenyl-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-5-phenyl-4,5-dihydro-1,3-thiazole
PubChem CID22220894
Molecular FormulaC10H11NS
Molecular Weight177.27 g/mol
Exact Mass177.06
IUPAC Name4-methyl-5-phenyl-4,5-dihydro-1,3-thiazole
SMILESCC1N=CSC1c1ccccc1
InChIInChI=1S/C10H11NS/c1-8-10(12-7-11-8)9-5-3-2-4-6-9/h2-8,10H,1H3
InChIKeyPLNVDMNZDQDGAR-UHFFFAOYSA-N
XLogP2.89
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-phenyl-4,5-dihydro-1,3-thiazole?
The IUPAC name of 4-methyl-5-phenyl-4,5-dihydro-1,3-thiazole (CID 22220894) is 4-methyl-5-phenyl-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 4-methyl-5-phenyl-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 4-methyl-5-phenyl-4,5-dihydro-1,3-thiazole is CC1N=CSC1c1ccccc1.
What is the InChIKey of 4-methyl-5-phenyl-4,5-dihydro-1,3-thiazole?
The InChIKey is PLNVDMNZDQDGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NS/c1-8-10(12-7-11-8)9-5-3-2-4-6-9/h2-8,10H,1H3.
What are the key properties of 4-methyl-5-phenyl-4,5-dihydro-1,3-thiazole?
4-methyl-5-phenyl-4,5-dihydro-1,3-thiazole has a molecular weight of 177.27 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-phenyl-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 22220894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).