5-butyl-2,4-diphenyl-1,3-thiazole

C19H19NS — CID 58626562

IUPAC5-butyl-2,4-diphenyl-1,3-thiazole
SMILESCCCCc1sc(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C19H19NS/c1-2-3-14-17-18(15-10-6-4-7-11-15)20-19(21-17)16-12-8-5-9-13-16/h4-13H,2-3,14H2,1H3
InChIKeyYNQQKQRNRCXGNA-UHFFFAOYSA-N
MW293.44 g/mol
LogP5.82
Rot. Bonds5

About 5-butyl-2,4-diphenyl-1,3-thiazole

5-butyl-2,4-diphenyl-1,3-thiazole (PubChem CID 58626562) has the molecular formula C19H19NS and a molecular weight of 293.44 g/mol. Its IUPAC name is 5-butyl-2,4-diphenyl-1,3-thiazole.

Molecular Properties

Compound Name5-butyl-2,4-diphenyl-1,3-thiazole
PubChem CID58626562
Molecular FormulaC19H19NS
Molecular Weight293.44 g/mol
Exact Mass293.12
IUPAC Name5-butyl-2,4-diphenyl-1,3-thiazole
SMILESCCCCc1sc(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C19H19NS/c1-2-3-14-17-18(15-10-6-4-7-11-15)20-19(21-17)16-12-8-5-9-13-16/h4-13H,2-3,14H2,1H3
InChIKeyYNQQKQRNRCXGNA-UHFFFAOYSA-N
XLogP5.82
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.44
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-2,4-diphenyl-1,3-thiazole?
The IUPAC name of 5-butyl-2,4-diphenyl-1,3-thiazole (CID 58626562) is 5-butyl-2,4-diphenyl-1,3-thiazole.
What is the SMILES notation for 5-butyl-2,4-diphenyl-1,3-thiazole?
The canonical SMILES for 5-butyl-2,4-diphenyl-1,3-thiazole is CCCCc1sc(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of 5-butyl-2,4-diphenyl-1,3-thiazole?
The InChIKey is YNQQKQRNRCXGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NS/c1-2-3-14-17-18(15-10-6-4-7-11-15)20-19(21-17)16-12-8-5-9-13-16/h4-13H,2-3,14H2,1H3.
What are the key properties of 5-butyl-2,4-diphenyl-1,3-thiazole?
5-butyl-2,4-diphenyl-1,3-thiazole has a molecular weight of 293.44 g/mol, XLogP of 5.82, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2,4-diphenyl-1,3-thiazole is sourced from PubChem (CID 58626562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).