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

C19H19NS — CID 142193708

IUPAC5-methyl-2-(4-phenylphenyl)-4-propyl-1,3-thiazole
SMILESCCCc1nc(-c2ccc(-c3ccccc3)cc2)sc1C
InChIInChI=1S/C19H19NS/c1-3-7-18-14(2)21-19(20-18)17-12-10-16(11-13-17)15-8-5-4-6-9-15/h4-6,8-13H,3,7H2,1-2H3
InChIKeyHHJRYCSZFFEMQP-UHFFFAOYSA-N
MW293.44 g/mol
LogP5.74
Rot. Bonds4

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

5-methyl-2-(4-phenylphenyl)-4-propyl-1,3-thiazole (PubChem CID 142193708) has the molecular formula C19H19NS and a molecular weight of 293.44 g/mol. Its IUPAC name is 5-methyl-2-(4-phenylphenyl)-4-propyl-1,3-thiazole.

Molecular Properties

Compound Name5-methyl-2-(4-phenylphenyl)-4-propyl-1,3-thiazole
PubChem CID142193708
Molecular FormulaC19H19NS
Molecular Weight293.44 g/mol
Exact Mass293.12
IUPAC Name5-methyl-2-(4-phenylphenyl)-4-propyl-1,3-thiazole
SMILESCCCc1nc(-c2ccc(-c3ccccc3)cc2)sc1C
InChIInChI=1S/C19H19NS/c1-3-7-18-14(2)21-19(20-18)17-12-10-16(11-13-17)15-8-5-4-6-9-15/h4-6,8-13H,3,7H2,1-2H3
InChIKeyHHJRYCSZFFEMQP-UHFFFAOYSA-N
XLogP5.74
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.44
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(4-phenylphenyl)-4-propyl-1,3-thiazole?
The IUPAC name of 5-methyl-2-(4-phenylphenyl)-4-propyl-1,3-thiazole (CID 142193708) is 5-methyl-2-(4-phenylphenyl)-4-propyl-1,3-thiazole.
What is the SMILES notation for 5-methyl-2-(4-phenylphenyl)-4-propyl-1,3-thiazole?
The canonical SMILES for 5-methyl-2-(4-phenylphenyl)-4-propyl-1,3-thiazole is CCCc1nc(-c2ccc(-c3ccccc3)cc2)sc1C.
What is the InChIKey of 5-methyl-2-(4-phenylphenyl)-4-propyl-1,3-thiazole?
The InChIKey is HHJRYCSZFFEMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NS/c1-3-7-18-14(2)21-19(20-18)17-12-10-16(11-13-17)15-8-5-4-6-9-15/h4-6,8-13H,3,7H2,1-2H3.
What are the key properties of 5-methyl-2-(4-phenylphenyl)-4-propyl-1,3-thiazole?
5-methyl-2-(4-phenylphenyl)-4-propyl-1,3-thiazole has a molecular weight of 293.44 g/mol, XLogP of 5.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(4-phenylphenyl)-4-propyl-1,3-thiazole is sourced from PubChem (CID 142193708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).