4-(diethylamino)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]benzamide

C22H25N3OS — CID 4646217

IUPAC4-(diethylamino)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCCN(CC)c1ccc(C(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)cc1
InChIInChI=1S/C22H25N3OS/c1-5-25(6-2)19-11-9-17(10-12-19)21(26)24-22-23-20(14-27-22)18-8-7-15(3)16(4)13-18/h7-14H,5-6H2,1-4H3,(H,23,24,26)
InChIKeyJDBQEIUGIGOBDX-UHFFFAOYSA-N
MW379.53 g/mol
LogP5.53
Rot. Bonds6

About 4-(diethylamino)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]benzamide

4-(diethylamino)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 4646217) has the molecular formula C22H25N3OS and a molecular weight of 379.53 g/mol. Its IUPAC name is 4-(diethylamino)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-(diethylamino)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]benzamide
PubChem CID4646217
Molecular FormulaC22H25N3OS
Molecular Weight379.53 g/mol
Exact Mass379.17
IUPAC Name4-(diethylamino)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCCN(CC)c1ccc(C(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)cc1
InChIInChI=1S/C22H25N3OS/c1-5-25(6-2)19-11-9-17(10-12-19)21(26)24-22-23-20(14-27-22)18-8-7-15(3)16(4)13-18/h7-14H,5-6H2,1-4H3,(H,23,24,26)
InChIKeyJDBQEIUGIGOBDX-UHFFFAOYSA-N
XLogP5.53
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.53
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(diethylamino)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(diethylamino)-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]benzamide
CID 4245052
4-butoxy-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 3302590
4-(diethylamino)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 4142843
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-4-nitrobenzamide
CID 1194542
2-[[5-[4-(diethylamino)phenyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 19641848
3,4-dimethyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide
CID 4277786
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3,4-dimethylbenzamide
CID 16820840
2-N,6-N-bis[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-2,6-dicarboxamide
CID 4653670
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-1-ethylbenzotriazole-5-carboxamide
CID 8780720
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-methoxybenzamide
CID 734137
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 734128
4-chloro-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(dimethylsulfamoyl)benzamide
CID 26115626

Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-(diethylamino)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]benzamide (CID 4646217) is 4-(diethylamino)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-(diethylamino)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-(diethylamino)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]benzamide is CCN(CC)c1ccc(C(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)cc1.
What is the InChIKey of 4-(diethylamino)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is JDBQEIUGIGOBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3OS/c1-5-25(6-2)19-11-9-17(10-12-19)21(26)24-22-23-20(14-27-22)18-8-7-15(3)16(4)13-18/h7-14H,5-6H2,1-4H3,(H,23,24,26).
What are the key properties of 4-(diethylamino)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]benzamide?
4-(diethylamino)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 379.53 g/mol, XLogP of 5.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 4646217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).