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

C16H20ClN3OS — CID 110359527

IUPAC2-chloro-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]benzamide
SMILESCCN(CC)Cc1csc(CNC(=O)c2ccccc2Cl)n1
InChIInChI=1S/C16H20ClN3OS/c1-3-20(4-2)10-12-11-22-15(19-12)9-18-16(21)13-7-5-6-8-14(13)17/h5-8,11H,3-4,9-10H2,1-2H3,(H,18,21)
InChIKeyBMHHBMOUCXMAQQ-UHFFFAOYSA-N
MW337.88 g/mol
LogP3.57
Rot. Bonds7

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

2-chloro-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]benzamide (PubChem CID 110359527) has the molecular formula C16H20ClN3OS and a molecular weight of 337.88 g/mol. Its IUPAC name is 2-chloro-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]benzamide
PubChem CID110359527
Molecular FormulaC16H20ClN3OS
Molecular Weight337.88 g/mol
Exact Mass337.10
IUPAC Name2-chloro-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]benzamide
SMILESCCN(CC)Cc1csc(CNC(=O)c2ccccc2Cl)n1
InChIInChI=1S/C16H20ClN3OS/c1-3-20(4-2)10-12-11-22-15(19-12)9-18-16(21)13-7-5-6-8-14(13)17/h5-8,11H,3-4,9-10H2,1-2H3,(H,18,21)
InChIKeyBMHHBMOUCXMAQQ-UHFFFAOYSA-N
XLogP3.57
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.88
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dichloro-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]benzamide
CID 110359542
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
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]-3-(4-methylphenyl)propanamide
CID 110357243
N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]-2-(4-fluorophenyl)butanamide
CID 110355301
2-chloro-N-[[4-(3,4-dihydroxyphenyl)-1,3-thiazol-2-yl]methyl]benzamide
CID 110393799
N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]-4-oxo-4-pyridin-3-ylbutanamide
CID 110613081
2-chloro-N-[(1-ethylpyrazol-3-yl)methyl]benzamide
CID 19331013
N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-[(dimethylamino)methyl]-1,3-thiazole-4-carboxamide
CID 74234317

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]benzamide?
The IUPAC name of 2-chloro-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]benzamide (CID 110359527) is 2-chloro-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]benzamide.
What is the SMILES notation for 2-chloro-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]benzamide?
The canonical SMILES for 2-chloro-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]benzamide is CCN(CC)Cc1csc(CNC(=O)c2ccccc2Cl)n1.
What is the InChIKey of 2-chloro-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]benzamide?
The InChIKey is BMHHBMOUCXMAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3OS/c1-3-20(4-2)10-12-11-22-15(19-12)9-18-16(21)13-7-5-6-8-14(13)17/h5-8,11H,3-4,9-10H2,1-2H3,(H,18,21).
What are the key properties of 2-chloro-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]benzamide?
2-chloro-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]benzamide has a molecular weight of 337.88 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]benzamide is sourced from PubChem (CID 110359527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).