2-methyl-4,5-diphenyl-4,5-dihydro-1,3-thiazole

C16H15NS — CID 4652461

IUPAC2-methyl-4,5-diphenyl-4,5-dihydro-1,3-thiazole
SMILESCC1=NC(c2ccccc2)C(c2ccccc2)S1
InChIInChI=1S/C16H15NS/c1-12-17-15(13-8-4-2-5-9-13)16(18-12)14-10-6-3-7-11-14/h2-11,15-16H,1H3
InChIKeyYWBWCQBRPLTUBG-UHFFFAOYSA-N
MW253.37 g/mol
LogP4.63
Rot. Bonds2

About 2-methyl-4,5-diphenyl-4,5-dihydro-1,3-thiazole

2-methyl-4,5-diphenyl-4,5-dihydro-1,3-thiazole (PubChem CID 4652461) has the molecular formula C16H15NS and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-methyl-4,5-diphenyl-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4,5-diphenyl-4,5-dihydro-1,3-thiazole
PubChem CID4652461
Molecular FormulaC16H15NS
Molecular Weight253.37 g/mol
Exact Mass253.09
IUPAC Name2-methyl-4,5-diphenyl-4,5-dihydro-1,3-thiazole
SMILESCC1=NC(c2ccccc2)C(c2ccccc2)S1
InChIInChI=1S/C16H15NS/c1-12-17-15(13-8-4-2-5-9-13)16(18-12)14-10-6-3-7-11-14/h2-11,15-16H,1H3
InChIKeyYWBWCQBRPLTUBG-UHFFFAOYSA-N
XLogP4.63
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,5-diphenyl-4,5-dihydro-1,3-thiazole?
The IUPAC name of 2-methyl-4,5-diphenyl-4,5-dihydro-1,3-thiazole (CID 4652461) is 2-methyl-4,5-diphenyl-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 2-methyl-4,5-diphenyl-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 2-methyl-4,5-diphenyl-4,5-dihydro-1,3-thiazole is CC1=NC(c2ccccc2)C(c2ccccc2)S1.
What is the InChIKey of 2-methyl-4,5-diphenyl-4,5-dihydro-1,3-thiazole?
The InChIKey is YWBWCQBRPLTUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NS/c1-12-17-15(13-8-4-2-5-9-13)16(18-12)14-10-6-3-7-11-14/h2-11,15-16H,1H3.
What are the key properties of 2-methyl-4,5-diphenyl-4,5-dihydro-1,3-thiazole?
2-methyl-4,5-diphenyl-4,5-dihydro-1,3-thiazole has a molecular weight of 253.37 g/mol, XLogP of 4.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,5-diphenyl-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 4652461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).