4-(diethylaminomethyl)-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]benzamide

C23H27N3O2S — CID 43070034

IUPAC4-(diethylaminomethyl)-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCCN(CC)Cc1ccc(C(=O)Nc2nc(-c3cc(C)ccc3OC)cs2)cc1
InChIInChI=1S/C23H27N3O2S/c1-5-26(6-2)14-17-8-10-18(11-9-17)22(27)25-23-24-20(15-29-23)19-13-16(3)7-12-21(19)28-4/h7-13,15H,5-6,14H2,1-4H3,(H,24,25,27)
InChIKeyHPDFKMAZIAWHCI-UHFFFAOYSA-N
MW409.56 g/mol
LogP5.22
Rot. Bonds8

About 4-(diethylaminomethyl)-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]benzamide

4-(diethylaminomethyl)-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 43070034) has the molecular formula C23H27N3O2S and a molecular weight of 409.56 g/mol. Its IUPAC name is 4-(diethylaminomethyl)-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-(diethylaminomethyl)-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]benzamide
PubChem CID43070034
Molecular FormulaC23H27N3O2S
Molecular Weight409.56 g/mol
Exact Mass409.18
IUPAC Name4-(diethylaminomethyl)-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCCN(CC)Cc1ccc(C(=O)Nc2nc(-c3cc(C)ccc3OC)cs2)cc1
InChIInChI=1S/C23H27N3O2S/c1-5-26(6-2)14-17-8-10-18(11-9-17)22(27)25-23-24-20(15-29-23)19-13-16(3)7-12-21(19)28-4/h7-13,15H,5-6,14H2,1-4H3,(H,24,25,27)
InChIKeyHPDFKMAZIAWHCI-UHFFFAOYSA-N
XLogP5.22
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.56
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]carbamoyl]benzoate
CID 26723703
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-ethylbenzamide
CID 3255300
N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-3-(methylsulfonylmethyl)benzamide
CID 26723789
4-(diethylaminomethyl)-N-(2-methoxy-5-methylphenyl)benzamide
CID 46435285
3-ethoxy-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-4-(pyridin-4-ylmethoxy)benzamide
CID 30798544
N-[4-(5-butyl-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(3-hydroxypropyl)benzamide
CID 141106168
N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-2,4,5-trimethylfuran-3-carboxamide
CID 35889009
N-[4-(5-butyl-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(3-oxopropyl)benzamide
CID 87282880
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-4-methoxy-3-nitrobenzamide
CID 7921823
N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 17417503
4-(diethylaminomethyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 43070031
2-chloro-4-fluoro-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 26723626

Frequently Asked Questions

What is the IUPAC name of 4-(diethylaminomethyl)-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-(diethylaminomethyl)-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]benzamide (CID 43070034) is 4-(diethylaminomethyl)-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-(diethylaminomethyl)-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-(diethylaminomethyl)-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]benzamide is CCN(CC)Cc1ccc(C(=O)Nc2nc(-c3cc(C)ccc3OC)cs2)cc1.
What is the InChIKey of 4-(diethylaminomethyl)-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is HPDFKMAZIAWHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2S/c1-5-26(6-2)14-17-8-10-18(11-9-17)22(27)25-23-24-20(15-29-23)19-13-16(3)7-12-21(19)28-4/h7-13,15H,5-6,14H2,1-4H3,(H,24,25,27).
What are the key properties of 4-(diethylaminomethyl)-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]benzamide?
4-(diethylaminomethyl)-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 409.56 g/mol, XLogP of 5.22, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylaminomethyl)-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 43070034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).