4-benzoyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide

C26H22N2O3S — CID 5235425

IUPAC4-benzoyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCCCOc1ccc(-c2csc(NC(=O)c3ccc(C(=O)c4ccccc4)cc3)n2)cc1
InChIInChI=1S/C26H22N2O3S/c1-2-16-31-22-14-12-18(13-15-22)23-17-32-26(27-23)28-25(30)21-10-8-20(9-11-21)24(29)19-6-4-3-5-7-19/h3-15,17H,2,16H2,1H3,(H,27,28,30)
InChIKeyKCAFLZHESRMYBM-UHFFFAOYSA-N
MW442.54 g/mol
LogP6.08
Rot. Bonds8

About 4-benzoyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide

4-benzoyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 5235425) has the molecular formula C26H22N2O3S and a molecular weight of 442.54 g/mol. Its IUPAC name is 4-benzoyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-benzoyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide
PubChem CID5235425
Molecular FormulaC26H22N2O3S
Molecular Weight442.54 g/mol
Exact Mass442.14
IUPAC Name4-benzoyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCCCOc1ccc(-c2csc(NC(=O)c3ccc(C(=O)c4ccccc4)cc3)n2)cc1
InChIInChI=1S/C26H22N2O3S/c1-2-16-31-22-14-12-18(13-15-22)23-17-32-26(27-23)28-25(30)21-10-8-20(9-11-21)24(29)19-6-4-3-5-7-19/h3-15,17H,2,16H2,1H3,(H,27,28,30)
InChIKeyKCAFLZHESRMYBM-UHFFFAOYSA-N
XLogP6.08
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.54
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-pentoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 4114659
4-ethylsulfanyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 41044361
3-pentoxy-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 4686613
2-phenyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 3414920
4-(dibutylsulfamoyl)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 4098935
N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-3-methoxybenzamide
CID 19195208
4-butoxy-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 3302590
2-(difluoromethyl)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]-3H-benzimidazole-5-carboxamide
CID 56563980
4-tert-butyl-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 19173152
(2R)-2-phenoxy-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 7920239
4-(azepan-1-ylsulfonyl)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 2141431
N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-2-iodobenzamide
CID 19197481

Frequently Asked Questions

What is the IUPAC name of 4-benzoyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-benzoyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide (CID 5235425) is 4-benzoyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-benzoyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-benzoyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide is CCCOc1ccc(-c2csc(NC(=O)c3ccc(C(=O)c4ccccc4)cc3)n2)cc1.
What is the InChIKey of 4-benzoyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is KCAFLZHESRMYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O3S/c1-2-16-31-22-14-12-18(13-15-22)23-17-32-26(27-23)28-25(30)21-10-8-20(9-11-21)24(29)19-6-4-3-5-7-19/h3-15,17H,2,16H2,1H3,(H,27,28,30).
What are the key properties of 4-benzoyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide?
4-benzoyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 442.54 g/mol, XLogP of 6.08, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzoyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 5235425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).