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

C20H19N3O3S — CID 110351798

IUPACN-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCc1nc(-c2ccc(NC(C)=O)cc2)cs1
InChIInChI=1S/C20H19N3O3S/c1-13(24)22-15-9-7-14(8-10-15)17-12-27-19(23-17)11-21-20(25)16-5-3-4-6-18(16)26-2/h3-10,12H,11H2,1-2H3,(H,21,25)(H,22,24)
InChIKeySXCSXMUCMIASLP-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.71
Rot. Bonds6

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

N-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl]-2-methoxybenzamide (PubChem CID 110351798) 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]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl]-2-methoxybenzamide
PubChem CID110351798
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC NameN-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCc1nc(-c2ccc(NC(C)=O)cc2)cs1
InChIInChI=1S/C20H19N3O3S/c1-13(24)22-15-9-7-14(8-10-15)17-12-27-19(23-17)11-21-20(25)16-5-3-4-6-18(16)26-2/h3-10,12H,11H2,1-2H3,(H,21,25)(H,22,24)
InChIKeySXCSXMUCMIASLP-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-acetamidophenyl)-1,3-thiazol-2-yl]methyl]-2-methylbenzamide
CID 110351792
N-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl]-3-methoxybenzamide
CID 110351799
N-[4-[2-[(phenylcarbamoylamino)methyl]-1,3-thiazol-4-yl]phenyl]acetamide
CID 110351811
2,4-dimethoxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]benzamide
CID 55663365
N-[4-[2-(ethylamino)-1,3-thiazol-4-yl]phenyl]-2-methoxybenzamide
CID 3650326
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-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl]-2-(4-fluorophenyl)acetamide
CID 110351804
N-[4-[2-[(diethylcarbamoylamino)methyl]-1,3-thiazol-4-yl]phenyl]acetamide
CID 110351825
N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-2-methoxybenzamide
CID 27993083
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methoxybenzamide
CID 868787
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]-2-methoxybenzamide?
The IUPAC name of N-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl]-2-methoxybenzamide (CID 110351798) is N-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl]-2-methoxybenzamide.
What is the SMILES notation for N-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl]-2-methoxybenzamide?
The canonical SMILES for N-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl]-2-methoxybenzamide is COc1ccccc1C(=O)NCc1nc(-c2ccc(NC(C)=O)cc2)cs1.
What is the InChIKey of N-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl]-2-methoxybenzamide?
The InChIKey is SXCSXMUCMIASLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S/c1-13(24)22-15-9-7-14(8-10-15)17-12-27-19(23-17)11-21-20(25)16-5-3-4-6-18(16)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]-2-methoxybenzamide?
N-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl]-2-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]-2-methoxybenzamide is sourced from PubChem (CID 110351798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).