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

C16H20BrN3OS — CID 110359502

IUPAC3-bromo-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]benzamide
SMILESCCN(CC)Cc1csc(CNC(=O)c2cccc(Br)c2)n1
InChIInChI=1S/C16H20BrN3OS/c1-3-20(4-2)10-14-11-22-15(19-14)9-18-16(21)12-6-5-7-13(17)8-12/h5-8,11H,3-4,9-10H2,1-2H3,(H,18,21)
InChIKeyYQYMSYOCCURCBT-UHFFFAOYSA-N
MW382.33 g/mol
LogP3.68
Rot. Bonds7

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

3-bromo-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]benzamide (PubChem CID 110359502) has the molecular formula C16H20BrN3OS and a molecular weight of 382.33 g/mol. Its IUPAC name is 3-bromo-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]benzamide
PubChem CID110359502
Molecular FormulaC16H20BrN3OS
Molecular Weight382.33 g/mol
Exact Mass381.05
IUPAC Name3-bromo-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]benzamide
SMILESCCN(CC)Cc1csc(CNC(=O)c2cccc(Br)c2)n1
InChIInChI=1S/C16H20BrN3OS/c1-3-20(4-2)10-14-11-22-15(19-14)9-18-16(21)12-6-5-7-13(17)8-12/h5-8,11H,3-4,9-10H2,1-2H3,(H,18,21)
InChIKeyYQYMSYOCCURCBT-UHFFFAOYSA-N
XLogP3.68
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.33
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]-3-methylsulfonylbenzamide
CID 110357262
2-chloro-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]benzamide
CID 110359527
2,4-dichloro-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]benzamide
CID 110359542
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]-4-oxo-4-pyridin-3-ylbutanamide
CID 110613081
3-tert-butyl-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]imidazo[1,5-a]pyridine-1-carboxamide
CID 110426483
3-bromo-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 19330923
3-bromo-N-[2-(diethylamino)ethyl]benzamide;hydrochloride
CID 2941785
N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]-3-(4-methylphenyl)propanamide
CID 110357243
N-[[4-[[(3-bromophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]methyl]ethanamine
CID 62462709
N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]oxolane-2-carboxamide
CID 110359488

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]benzamide?
The IUPAC name of 3-bromo-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]benzamide (CID 110359502) is 3-bromo-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]benzamide.
What is the SMILES notation for 3-bromo-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]benzamide?
The canonical SMILES for 3-bromo-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]benzamide is CCN(CC)Cc1csc(CNC(=O)c2cccc(Br)c2)n1.
What is the InChIKey of 3-bromo-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]benzamide?
The InChIKey is YQYMSYOCCURCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3OS/c1-3-20(4-2)10-14-11-22-15(19-14)9-18-16(21)12-6-5-7-13(17)8-12/h5-8,11H,3-4,9-10H2,1-2H3,(H,18,21).
What are the key properties of 3-bromo-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]benzamide?
3-bromo-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]benzamide has a molecular weight of 382.33 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]benzamide is sourced from PubChem (CID 110359502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).