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

C24H28N2O3S — CID 4686613

IUPAC3-pentoxy-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCCCCCOc1cccc(C(=O)Nc2nc(-c3ccc(OCCC)cc3)cs2)c1
InChIInChI=1S/C24H28N2O3S/c1-3-5-6-15-29-21-9-7-8-19(16-21)23(27)26-24-25-22(17-30-24)18-10-12-20(13-11-18)28-14-4-2/h7-13,16-17H,3-6,14-15H2,1-2H3,(H,25,26,27)
InChIKeyGGDNVSFPNBJEGX-UHFFFAOYSA-N
MW424.57 g/mol
LogP6.42
Rot. Bonds11

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

3-pentoxy-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 4686613) has the molecular formula C24H28N2O3S and a molecular weight of 424.57 g/mol. Its IUPAC name is 3-pentoxy-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name3-pentoxy-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide
PubChem CID4686613
Molecular FormulaC24H28N2O3S
Molecular Weight424.57 g/mol
Exact Mass424.18
IUPAC Name3-pentoxy-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCCCCCOc1cccc(C(=O)Nc2nc(-c3ccc(OCCC)cc3)cs2)c1
InChIInChI=1S/C24H28N2O3S/c1-3-5-6-15-29-21-9-7-8-19(16-21)23(27)26-24-25-22(17-30-24)18-10-12-20(13-11-18)28-14-4-2/h7-13,16-17H,3-6,14-15H2,1-2H3,(H,25,26,27)
InChIKeyGGDNVSFPNBJEGX-UHFFFAOYSA-N
XLogP6.42
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.57
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-3-methoxybenzamide
CID 19195208
3-butoxy-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide
CID 3524855
N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-3-pentoxybenzamide
CID 4646219
4-pentoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 4114659
4-benzoyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 5235425
3-butoxy-N-[(4-phenyl-1,3-thiazol-2-yl)carbamothioyl]benzamide
CID 2283270
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-ethylsulfanyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 41044361
N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-2-iodobenzamide
CID 19197481
3-cyano-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 7733305
4-(dibutylsulfamoyl)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 4098935

Frequently Asked Questions

What is the IUPAC name of 3-pentoxy-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 3-pentoxy-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide (CID 4686613) is 3-pentoxy-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 3-pentoxy-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 3-pentoxy-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide is CCCCCOc1cccc(C(=O)Nc2nc(-c3ccc(OCCC)cc3)cs2)c1.
What is the InChIKey of 3-pentoxy-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is GGDNVSFPNBJEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3S/c1-3-5-6-15-29-21-9-7-8-19(16-21)23(27)26-24-25-22(17-30-24)18-10-12-20(13-11-18)28-14-4-2/h7-13,16-17H,3-6,14-15H2,1-2H3,(H,25,26,27).
What are the key properties of 3-pentoxy-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide?
3-pentoxy-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 424.57 g/mol, XLogP of 6.42, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentoxy-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 4686613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).