N-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl]-4-chlorobenzamide

C19H16ClN3O2S — CID 110351814

IUPACN-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl]-4-chlorobenzamide
SMILESCC(=O)Nc1ccc(-c2csc(CNC(=O)c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C19H16ClN3O2S/c1-12(24)22-16-8-4-13(5-9-16)17-11-26-18(23-17)10-21-19(25)14-2-6-15(20)7-3-14/h2-9,11H,10H2,1H3,(H,21,25)(H,22,24)
InChIKeyARYAXGNTQZVAIM-UHFFFAOYSA-N
MW385.88 g/mol
LogP4.35
Rot. Bonds5

About N-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl]-4-chlorobenzamide

N-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl]-4-chlorobenzamide (PubChem CID 110351814) has the molecular formula C19H16ClN3O2S and a molecular weight of 385.88 g/mol. Its IUPAC name is N-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl]-4-chlorobenzamide
PubChem CID110351814
Molecular FormulaC19H16ClN3O2S
Molecular Weight385.88 g/mol
Exact Mass385.07
IUPAC NameN-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl]-4-chlorobenzamide
SMILESCC(=O)Nc1ccc(-c2csc(CNC(=O)c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C19H16ClN3O2S/c1-12(24)22-16-8-4-13(5-9-16)17-11-26-18(23-17)10-21-19(25)14-2-6-15(20)7-3-14/h2-9,11H,10H2,1H3,(H,21,25)(H,22,24)
InChIKeyARYAXGNTQZVAIM-UHFFFAOYSA-N
XLogP4.35
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.88
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetamido-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 7923619
N-[2-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]ethyl]-4-fluorobenzamide
CID 110351853
N-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl]-3-methoxybenzamide
CID 110351799
N-[4-[2-[(dimethylcarbamoylamino)methyl]-1,3-thiazol-4-yl]phenyl]acetamide
CID 110351824
N-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl]-2-methylbenzamide
CID 110351792
N-[4-[2-[(phenylcarbamoylamino)methyl]-1,3-thiazol-4-yl]phenyl]acetamide
CID 110351811
N-[4-[2-[(diethylcarbamoylamino)methyl]-1,3-thiazol-4-yl]phenyl]acetamide
CID 110351825
N-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl]-2-(4-fluorophenyl)acetamide
CID 110351804
N-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]ethyl]-4-methoxybenzamide
CID 1497766
N-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl]-2-methoxybenzamide
CID 110351798
tert-butyl N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methylcarbamoyl]phenyl]carbamate
CID 56585717
N-[4-[2-[2-(methylamino)ethyl]-1,3-thiazol-4-yl]phenyl]acetamide
CID 82103470

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl]-4-chlorobenzamide?
The IUPAC name of N-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl]-4-chlorobenzamide (CID 110351814) is N-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl]-4-chlorobenzamide.
What is the SMILES notation for N-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl]-4-chlorobenzamide?
The canonical SMILES for N-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl]-4-chlorobenzamide is CC(=O)Nc1ccc(-c2csc(CNC(=O)c3ccc(Cl)cc3)n2)cc1.
What is the InChIKey of N-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl]-4-chlorobenzamide?
The InChIKey is ARYAXGNTQZVAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2S/c1-12(24)22-16-8-4-13(5-9-16)17-11-26-18(23-17)10-21-19(25)14-2-6-15(20)7-3-14/h2-9,11H,10H2,1H3,(H,21,25)(H,22,24).
What are the key properties of N-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl]-4-chlorobenzamide?
N-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl]-4-chlorobenzamide has a molecular weight of 385.88 g/mol, XLogP of 4.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl]-4-chlorobenzamide is sourced from PubChem (CID 110351814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).