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

C20H19N3O2S — CID 110351792

IUPACN-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl]-2-methylbenzamide
SMILESCC(=O)Nc1ccc(-c2csc(CNC(=O)c3ccccc3C)n2)cc1
InChIInChI=1S/C20H19N3O2S/c1-13-5-3-4-6-17(13)20(25)21-11-19-23-18(12-26-19)15-7-9-16(10-8-15)22-14(2)24/h3-10,12H,11H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyNYLXNXBRVVLJSZ-UHFFFAOYSA-N
MW365.46 g/mol
LogP4.01
Rot. Bonds5

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

N-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl]-2-methylbenzamide (PubChem CID 110351792) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is N-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl]-2-methylbenzamide
PubChem CID110351792
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC NameN-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl]-2-methylbenzamide
SMILESCC(=O)Nc1ccc(-c2csc(CNC(=O)c3ccccc3C)n2)cc1
InChIInChI=1S/C20H19N3O2S/c1-13-5-3-4-6-17(13)20(25)21-11-19-23-18(12-26-19)15-7-9-16(10-8-15)22-14(2)24/h3-10,12H,11H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyNYLXNXBRVVLJSZ-UHFFFAOYSA-N
XLogP4.01
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl]-2-methoxybenzamide
CID 110351798
N-[4-[2-[(phenylcarbamoylamino)methyl]-1,3-thiazol-4-yl]phenyl]acetamide
CID 110351811
N-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl]-4-chlorobenzamide
CID 110351814
N-[4-[2-[(dimethylcarbamoylamino)methyl]-1,3-thiazol-4-yl]phenyl]acetamide
CID 110351824
N-[4-[2-[(diethylcarbamoylamino)methyl]-1,3-thiazol-4-yl]phenyl]acetamide
CID 110351825
N-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl]-3-methoxybenzamide
CID 110351799
N-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl]-2-(4-fluorophenyl)acetamide
CID 110351804
N-[4-[2-[2-(methylamino)ethyl]-1,3-thiazol-4-yl]phenyl]acetamide
CID 82103470
ethyl 2-[[(2-methylbenzoyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 19864880
N-[2-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]ethyl]-4-fluorobenzamide
CID 110351853
2-chloro-N-[[4-(3,4-dihydroxyphenyl)-1,3-thiazol-2-yl]methyl]benzamide
CID 110393799
2-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 576996

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl]-2-methylbenzamide?
The IUPAC name of N-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl]-2-methylbenzamide (CID 110351792) is N-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl]-2-methylbenzamide.
What is the SMILES notation for N-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl]-2-methylbenzamide?
The canonical SMILES for N-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl]-2-methylbenzamide is CC(=O)Nc1ccc(-c2csc(CNC(=O)c3ccccc3C)n2)cc1.
What is the InChIKey of N-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl]-2-methylbenzamide?
The InChIKey is NYLXNXBRVVLJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S/c1-13-5-3-4-6-17(13)20(25)21-11-19-23-18(12-26-19)15-7-9-16(10-8-15)22-14(2)24/h3-10,12H,11H2,1-2H3,(H,21,25)(H,22,24).
What are the key properties of N-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl]-2-methylbenzamide?
N-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl]-2-methylbenzamide has a molecular weight of 365.46 g/mol, XLogP of 4.01, 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]-2-methylbenzamide is sourced from PubChem (CID 110351792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).