2-(3-methylphenyl)-4,5-dihydro-1,3-thiazole

C10H11NS — CID 3024542

IUPAC2-(3-methylphenyl)-4,5-dihydro-1,3-thiazole
SMILESCc1cccc(C2=NCCS2)c1
InChIInChI=1S/C10H11NS/c1-8-3-2-4-9(7-8)10-11-5-6-12-10/h2-4,7H,5-6H2,1H3
InChIKeyYNVRQNBVGXXWMT-UHFFFAOYSA-N
MW177.27 g/mol
LogP2.49
Rot. Bonds1

About 2-(3-methylphenyl)-4,5-dihydro-1,3-thiazole

2-(3-methylphenyl)-4,5-dihydro-1,3-thiazole (PubChem CID 3024542) has the molecular formula C10H11NS and a molecular weight of 177.27 g/mol. Its IUPAC name is 2-(3-methylphenyl)-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-(3-methylphenyl)-4,5-dihydro-1,3-thiazole
PubChem CID3024542
Molecular FormulaC10H11NS
Molecular Weight177.27 g/mol
Exact Mass177.06
IUPAC Name2-(3-methylphenyl)-4,5-dihydro-1,3-thiazole
SMILESCc1cccc(C2=NCCS2)c1
InChIInChI=1S/C10H11NS/c1-8-3-2-4-9(7-8)10-11-5-6-12-10/h2-4,7H,5-6H2,1H3
InChIKeyYNVRQNBVGXXWMT-UHFFFAOYSA-N
XLogP2.49
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 ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-4,5-dihydro-1,3-thiazole?
The IUPAC name of 2-(3-methylphenyl)-4,5-dihydro-1,3-thiazole (CID 3024542) is 2-(3-methylphenyl)-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 2-(3-methylphenyl)-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 2-(3-methylphenyl)-4,5-dihydro-1,3-thiazole is Cc1cccc(C2=NCCS2)c1.
What is the InChIKey of 2-(3-methylphenyl)-4,5-dihydro-1,3-thiazole?
The InChIKey is YNVRQNBVGXXWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NS/c1-8-3-2-4-9(7-8)10-11-5-6-12-10/h2-4,7H,5-6H2,1H3.
What are the key properties of 2-(3-methylphenyl)-4,5-dihydro-1,3-thiazole?
2-(3-methylphenyl)-4,5-dihydro-1,3-thiazole has a molecular weight of 177.27 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 3024542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).