N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]-2-(3,4,5-trimethoxyphenyl)acetamide

C23H26N2O4S — CID 24657607

IUPACN-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(CC(=O)Nc2nc(-c3ccc(C(C)C)cc3)cs2)cc(OC)c1OC
InChIInChI=1S/C23H26N2O4S/c1-14(2)16-6-8-17(9-7-16)18-13-30-23(24-18)25-21(26)12-15-10-19(27-3)22(29-5)20(11-15)28-4/h6-11,13-14H,12H2,1-5H3,(H,24,25,26)
InChIKeyMKEIVUIIQNXMQO-UHFFFAOYSA-N
MW426.54 g/mol
LogP5.14
Rot. Bonds8

About N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]-2-(3,4,5-trimethoxyphenyl)acetamide

N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]-2-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 24657607) has the molecular formula C23H26N2O4S and a molecular weight of 426.54 g/mol. Its IUPAC name is N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]-2-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]-2-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID24657607
Molecular FormulaC23H26N2O4S
Molecular Weight426.54 g/mol
Exact Mass426.16
IUPAC NameN-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(CC(=O)Nc2nc(-c3ccc(C(C)C)cc3)cs2)cc(OC)c1OC
InChIInChI=1S/C23H26N2O4S/c1-14(2)16-6-8-17(9-7-16)18-13-30-23(24-18)25-21(26)12-15-10-19(27-3)22(29-5)20(11-15)28-4/h6-11,13-14H,12H2,1-5H3,(H,24,25,26)
InChIKeyMKEIVUIIQNXMQO-UHFFFAOYSA-N
XLogP5.14
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.54
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-phenyl-1,3-thiazol-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2598512
N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 46668396
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2109084
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(4-propan-2-ylphenyl)acetamide
CID 43951183
N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]butanamide
CID 3681052
2-(3,4-dimethoxyphenyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7831958
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 8753140
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(4-chlorophenyl)acetamide
CID 16562173
3,4,5-trimethoxy-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]benzamide
CID 3917091
2-(5-chloro-2-methoxyphenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 171133880
2-(4-chlorophenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 8748052
2-(4-chloro-2-methylphenoxy)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]acetamide
CID 4643294

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]-2-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]-2-(3,4,5-trimethoxyphenyl)acetamide (CID 24657607) is N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]-2-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]-2-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]-2-(3,4,5-trimethoxyphenyl)acetamide is COc1cc(CC(=O)Nc2nc(-c3ccc(C(C)C)cc3)cs2)cc(OC)c1OC.
What is the InChIKey of N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]-2-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is MKEIVUIIQNXMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4S/c1-14(2)16-6-8-17(9-7-16)18-13-30-23(24-18)25-21(26)12-15-10-19(27-3)22(29-5)20(11-15)28-4/h6-11,13-14H,12H2,1-5H3,(H,24,25,26).
What are the key properties of N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]-2-(3,4,5-trimethoxyphenyl)acetamide?
N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]-2-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 426.54 g/mol, XLogP of 5.14, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]-2-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 24657607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).