2,4-dichloro-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]benzamide

C16H19Cl2N3OS — CID 110359542

IUPAC2,4-dichloro-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]benzamide
SMILESCCN(CC)Cc1csc(CNC(=O)c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C16H19Cl2N3OS/c1-3-21(4-2)9-12-10-23-15(20-12)8-19-16(22)13-6-5-11(17)7-14(13)18/h5-7,10H,3-4,8-9H2,1-2H3,(H,19,22)
InChIKeyPDYAPVOWAKDODC-UHFFFAOYSA-N
MW372.32 g/mol
LogP4.22
Rot. Bonds7

About 2,4-dichloro-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]benzamide

2,4-dichloro-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]benzamide (PubChem CID 110359542) has the molecular formula C16H19Cl2N3OS and a molecular weight of 372.32 g/mol. Its IUPAC name is 2,4-dichloro-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]benzamide
PubChem CID110359542
Molecular FormulaC16H19Cl2N3OS
Molecular Weight372.32 g/mol
Exact Mass371.06
IUPAC Name2,4-dichloro-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]benzamide
SMILESCCN(CC)Cc1csc(CNC(=O)c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C16H19Cl2N3OS/c1-3-21(4-2)9-12-10-23-15(20-12)8-19-16(22)13-6-5-11(17)7-14(13)18/h5-7,10H,3-4,8-9H2,1-2H3,(H,19,22)
InChIKeyPDYAPVOWAKDODC-UHFFFAOYSA-N
XLogP4.22
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.32
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]benzamide
CID 110359527
3-bromo-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]benzamide
CID 110359502
N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]-2-(4-fluorophenyl)acetamide
CID 110359516
ethyl N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]carbamate
CID 110359539
N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]-3-methylsulfonylbenzamide
CID 110357262
2,4-dichloro-N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]benzamide
CID 108726565
2,4-dichloro-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]benzamide
CID 95324628
2-[[(2,5-dichlorobenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66379482
N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]-3-(4-methylphenyl)propanamide
CID 110357243
3-tert-butyl-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]imidazo[1,5-a]pyridine-1-carboxamide
CID 110426483
N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]-2-(4-fluorophenyl)butanamide
CID 110355301
5-chloro-2-hydrazinyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 62247849

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]benzamide (CID 110359542) is 2,4-dichloro-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]benzamide is CCN(CC)Cc1csc(CNC(=O)c2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 2,4-dichloro-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]benzamide?
The InChIKey is PDYAPVOWAKDODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N3OS/c1-3-21(4-2)9-12-10-23-15(20-12)8-19-16(22)13-6-5-11(17)7-14(13)18/h5-7,10H,3-4,8-9H2,1-2H3,(H,19,22).
What are the key properties of 2,4-dichloro-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]benzamide?
2,4-dichloro-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]benzamide has a molecular weight of 372.32 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]benzamide is sourced from PubChem (CID 110359542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).