4-benzyl-5-butyl-2-(4-chlorophenyl)-1,3-thiazole

C20H20ClNS — CID 46862434

IUPAC4-benzyl-5-butyl-2-(4-chlorophenyl)-1,3-thiazole
SMILESCCCCc1sc(-c2ccc(Cl)cc2)nc1Cc1ccccc1
InChIInChI=1S/C20H20ClNS/c1-2-3-9-19-18(14-15-7-5-4-6-8-15)22-20(23-19)16-10-12-17(21)13-11-16/h4-8,10-13H,2-3,9,14H2,1H3
InChIKeyUUVUVOFEXFQCPR-UHFFFAOYSA-N
MW341.91 g/mol
LogP6.40
Rot. Bonds6

About 4-benzyl-5-butyl-2-(4-chlorophenyl)-1,3-thiazole

4-benzyl-5-butyl-2-(4-chlorophenyl)-1,3-thiazole (PubChem CID 46862434) has the molecular formula C20H20ClNS and a molecular weight of 341.91 g/mol. Its IUPAC name is 4-benzyl-5-butyl-2-(4-chlorophenyl)-1,3-thiazole.

Molecular Properties

Compound Name4-benzyl-5-butyl-2-(4-chlorophenyl)-1,3-thiazole
PubChem CID46862434
Molecular FormulaC20H20ClNS
Molecular Weight341.91 g/mol
Exact Mass341.10
IUPAC Name4-benzyl-5-butyl-2-(4-chlorophenyl)-1,3-thiazole
SMILESCCCCc1sc(-c2ccc(Cl)cc2)nc1Cc1ccccc1
InChIInChI=1S/C20H20ClNS/c1-2-3-9-19-18(14-15-7-5-4-6-8-15)22-20(23-19)16-10-12-17(21)13-11-16/h4-8,10-13H,2-3,9,14H2,1H3
InChIKeyUUVUVOFEXFQCPR-UHFFFAOYSA-N
XLogP6.40
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.91
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-butyl-2,4-diphenyl-1,3-thiazole
CID 58626562
2-(4-chlorophenyl)-5-ethyl-4-methyl-1,3-thiazole
CID 58936530
4-butyl-2-phenyl-1,3-thiazol-5-amine
CID 62077156
5-benzyl-4-butyl-1,3-thiazol-2-amine;hydrobromide
CID 141313794
4-butyl-N-methyl-2-(4-phenylmethoxyphenyl)-1,3-thiazol-5-amine;ethane
CID 143616512
1-[2-(4-chlorophenyl)-4-propyl-1,3-thiazol-5-yl]ethanone
CID 82431610
2,5-bis(4-benzylphenyl)-[1,3]thiazolo[5,4-d][1,3]thiazole
CID 166805666
3-(2-phenyl-4-propyl-1,3-thiazol-5-yl)propanoic acid
CID 82431422
1-butyl-4-(4-chlorophenyl)benzene
CID 71329795
5-methyl-2-(4-phenylphenyl)-4-propyl-1,3-thiazole
CID 142193708
4-benzyl-2,5-diphenyl-1,3-thiazole
CID 46862429
N-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]hexanamide
CID 5221499

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-5-butyl-2-(4-chlorophenyl)-1,3-thiazole?
The IUPAC name of 4-benzyl-5-butyl-2-(4-chlorophenyl)-1,3-thiazole (CID 46862434) is 4-benzyl-5-butyl-2-(4-chlorophenyl)-1,3-thiazole.
What is the SMILES notation for 4-benzyl-5-butyl-2-(4-chlorophenyl)-1,3-thiazole?
The canonical SMILES for 4-benzyl-5-butyl-2-(4-chlorophenyl)-1,3-thiazole is CCCCc1sc(-c2ccc(Cl)cc2)nc1Cc1ccccc1.
What is the InChIKey of 4-benzyl-5-butyl-2-(4-chlorophenyl)-1,3-thiazole?
The InChIKey is UUVUVOFEXFQCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClNS/c1-2-3-9-19-18(14-15-7-5-4-6-8-15)22-20(23-19)16-10-12-17(21)13-11-16/h4-8,10-13H,2-3,9,14H2,1H3.
What are the key properties of 4-benzyl-5-butyl-2-(4-chlorophenyl)-1,3-thiazole?
4-benzyl-5-butyl-2-(4-chlorophenyl)-1,3-thiazole has a molecular weight of 341.91 g/mol, XLogP of 6.40, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-5-butyl-2-(4-chlorophenyl)-1,3-thiazole is sourced from PubChem (CID 46862434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).