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

C20H19N3O3S — CID 110351799

IUPACN-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCc2nc(-c3ccc(NC(C)=O)cc3)cs2)c1
InChIInChI=1S/C20H19N3O3S/c1-13(24)22-16-8-6-14(7-9-16)18-12-27-19(23-18)11-21-20(25)15-4-3-5-17(10-15)26-2/h3-10,12H,11H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyUQKGEHDYTKSREO-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.71
Rot. Bonds6

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

N-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl]-3-methoxybenzamide (PubChem CID 110351799) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is N-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl]-3-methoxybenzamide
PubChem CID110351799
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC NameN-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCc2nc(-c3ccc(NC(C)=O)cc3)cs2)c1
InChIInChI=1S/C20H19N3O3S/c1-13(24)22-16-8-6-14(7-9-16)18-12-27-19(23-18)11-21-20(25)15-4-3-5-17(10-15)26-2/h3-10,12H,11H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyUQKGEHDYTKSREO-UHFFFAOYSA-N
XLogP3.71
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]-3-methoxybenzamide
CID 110393653
N-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl]-2-methoxybenzamide
CID 110351798
N-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl]-4-chlorobenzamide
CID 110351814
3-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 737892
3,4-dimethoxy-N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]benzamide
CID 71691502
3,5-dimethoxy-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]benzamide
CID 110318175
4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]benzamide
CID 55663425
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-[(dimethylcarbamoylamino)methyl]-1,3-thiazol-4-yl]phenyl]acetamide
CID 110351824
3-acetamido-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 8748170
3-methoxy-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]benzamide
CID 110317530

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl]-3-methoxybenzamide?
The IUPAC name of N-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl]-3-methoxybenzamide (CID 110351799) is N-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl]-3-methoxybenzamide.
What is the SMILES notation for N-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl]-3-methoxybenzamide?
The canonical SMILES for N-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl]-3-methoxybenzamide is COc1cccc(C(=O)NCc2nc(-c3ccc(NC(C)=O)cc3)cs2)c1.
What is the InChIKey of N-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl]-3-methoxybenzamide?
The InChIKey is UQKGEHDYTKSREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S/c1-13(24)22-16-8-6-14(7-9-16)18-12-27-19(23-18)11-21-20(25)15-4-3-5-17(10-15)26-2/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]-3-methoxybenzamide?
N-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl]-3-methoxybenzamide has a molecular weight of 381.46 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl]-3-methoxybenzamide is sourced from PubChem (CID 110351799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).