3,4,5-trimethoxy-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]benzamide

C22H24N2O4S — CID 3917091

IUPAC3,4,5-trimethoxy-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCCCc1ccc(-c2csc(NC(=O)c3cc(OC)c(OC)c(OC)c3)n2)cc1
InChIInChI=1S/C22H24N2O4S/c1-5-6-14-7-9-15(10-8-14)17-13-29-22(23-17)24-21(25)16-11-18(26-2)20(28-4)19(12-16)27-3/h7-13H,5-6H2,1-4H3,(H,23,24,25)
InChIKeyAEDNLTXBOGGWAO-UHFFFAOYSA-N
MW412.51 g/mol
LogP5.04
Rot. Bonds8

About 3,4,5-trimethoxy-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]benzamide

3,4,5-trimethoxy-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 3917091) has the molecular formula C22H24N2O4S and a molecular weight of 412.51 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]benzamide
PubChem CID3917091
Molecular FormulaC22H24N2O4S
Molecular Weight412.51 g/mol
Exact Mass412.15
IUPAC Name3,4,5-trimethoxy-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCCCc1ccc(-c2csc(NC(=O)c3cc(OC)c(OC)c(OC)c3)n2)cc1
InChIInChI=1S/C22H24N2O4S/c1-5-6-14-7-9-15(10-8-14)17-13-29-22(23-17)24-21(25)16-11-18(26-2)20(28-4)19(12-16)27-3/h7-13H,5-6H2,1-4H3,(H,23,24,25)
InChIKeyAEDNLTXBOGGWAO-UHFFFAOYSA-N
XLogP5.04
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.51
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,4,5-trimethoxy-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]benzamide
CID 8916252
2,5-dimethoxy-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]benzamide
CID 16557171
N-[3-[2-(butanoylamino)-1,3-thiazol-4-yl]phenyl]-3,4,5-trimethoxybenzamide
CID 4000067
N-[4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 88901622
3,4,5-trimethoxy-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 42008469
4-ethoxy-3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 8747783
4-(2-amino-2-oxoethoxy)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide
CID 27445317
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-propylphenoxy)acetamide
CID 19178451
3,4,5-trimethoxy-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]benzamide
CID 4069940
3,5-dichloro-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 4009017
4-(2-amino-2-oxoethoxy)-N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide
CID 27446268
N-(4-phenyl-1,3-thiazol-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2598512

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]benzamide (CID 3917091) is 3,4,5-trimethoxy-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]benzamide is CCCc1ccc(-c2csc(NC(=O)c3cc(OC)c(OC)c(OC)c3)n2)cc1.
What is the InChIKey of 3,4,5-trimethoxy-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is AEDNLTXBOGGWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4S/c1-5-6-14-7-9-15(10-8-14)17-13-29-22(23-17)24-21(25)16-11-18(26-2)20(28-4)19(12-16)27-3/h7-13H,5-6H2,1-4H3,(H,23,24,25).
What are the key properties of 3,4,5-trimethoxy-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]benzamide?
3,4,5-trimethoxy-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 412.51 g/mol, XLogP of 5.04, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 3917091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).