4-methyl-5-(2-phenylphenyl)-1,3-thiazole

C16H13NS — CID 86231634

IUPAC4-methyl-5-(2-phenylphenyl)-1,3-thiazole
SMILESCc1ncsc1-c1ccccc1-c1ccccc1
InChIInChI=1S/C16H13NS/c1-12-16(18-11-17-12)15-10-6-5-9-14(15)13-7-3-2-4-8-13/h2-11H,1H3
InChIKeyMQKFSLQFRUCSQM-UHFFFAOYSA-N
MW251.35 g/mol
LogP4.79
Rot. Bonds2

About 4-methyl-5-(2-phenylphenyl)-1,3-thiazole

4-methyl-5-(2-phenylphenyl)-1,3-thiazole (PubChem CID 86231634) has the molecular formula C16H13NS and a molecular weight of 251.35 g/mol. Its IUPAC name is 4-methyl-5-(2-phenylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-5-(2-phenylphenyl)-1,3-thiazole
PubChem CID86231634
Molecular FormulaC16H13NS
Molecular Weight251.35 g/mol
Exact Mass251.08
IUPAC Name4-methyl-5-(2-phenylphenyl)-1,3-thiazole
SMILESCc1ncsc1-c1ccccc1-c1ccccc1
InChIInChI=1S/C16H13NS/c1-12-16(18-11-17-12)15-10-6-5-9-14(15)13-7-3-2-4-8-13/h2-11H,1H3
InChIKeyMQKFSLQFRUCSQM-UHFFFAOYSA-N
XLogP4.79
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(2-phenylphenyl)-1,3-thiazole?
The IUPAC name of 4-methyl-5-(2-phenylphenyl)-1,3-thiazole (CID 86231634) is 4-methyl-5-(2-phenylphenyl)-1,3-thiazole.
What is the SMILES notation for 4-methyl-5-(2-phenylphenyl)-1,3-thiazole?
The canonical SMILES for 4-methyl-5-(2-phenylphenyl)-1,3-thiazole is Cc1ncsc1-c1ccccc1-c1ccccc1.
What is the InChIKey of 4-methyl-5-(2-phenylphenyl)-1,3-thiazole?
The InChIKey is MQKFSLQFRUCSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NS/c1-12-16(18-11-17-12)15-10-6-5-9-14(15)13-7-3-2-4-8-13/h2-11H,1H3.
What are the key properties of 4-methyl-5-(2-phenylphenyl)-1,3-thiazole?
4-methyl-5-(2-phenylphenyl)-1,3-thiazole has a molecular weight of 251.35 g/mol, XLogP of 4.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(2-phenylphenyl)-1,3-thiazole is sourced from PubChem (CID 86231634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).