N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(phenoxymethyl)benzamide

C19H17N3O3S — CID 24646052

IUPACN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(phenoxymethyl)benzamide
SMILESNC(=O)Cc1csc(NC(=O)c2ccccc2COc2ccccc2)n1
InChIInChI=1S/C19H17N3O3S/c20-17(23)10-14-12-26-19(21-14)22-18(24)16-9-5-4-6-13(16)11-25-15-7-2-1-3-8-15/h1-9,12H,10-11H2,(H2,20,23)(H,21,22,24)
InChIKeyXZXSIBOFYHGAEO-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.00
Rot. Bonds7

About N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(phenoxymethyl)benzamide

N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(phenoxymethyl)benzamide (PubChem CID 24646052) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(phenoxymethyl)benzamide.

Molecular Properties

Compound NameN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(phenoxymethyl)benzamide
PubChem CID24646052
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC NameN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(phenoxymethyl)benzamide
SMILESNC(=O)Cc1csc(NC(=O)c2ccccc2COc2ccccc2)n1
InChIInChI=1S/C19H17N3O3S/c20-17(23)10-14-12-26-19(21-14)22-18(24)16-9-5-4-6-13(16)11-25-15-7-2-1-3-8-15/h1-9,12H,10-11H2,(H2,20,23)(H,21,22,24)
InChIKeyXZXSIBOFYHGAEO-UHFFFAOYSA-N
XLogP3.00
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-benzyl-N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]benzamide
CID 2476012
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide
CID 17449882
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide
CID 33391273
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-benzamidobenzamide
CID 24658588
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(4-fluoroanilino)benzamide
CID 18139533
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 24672411
N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-2-(phenoxymethyl)benzamide
CID 55372945
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 18139552
2-methyl-N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide
CID 167925938
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(2,3-dimethylanilino)benzamide
CID 51258065
N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-2-(phenoxymethyl)benzamide
CID 35888051
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-methoxy-4-phenylmethoxybenzamide
CID 26045727

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(phenoxymethyl)benzamide?
The IUPAC name of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(phenoxymethyl)benzamide (CID 24646052) is N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(phenoxymethyl)benzamide.
What is the SMILES notation for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(phenoxymethyl)benzamide?
The canonical SMILES for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(phenoxymethyl)benzamide is NC(=O)Cc1csc(NC(=O)c2ccccc2COc2ccccc2)n1.
What is the InChIKey of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(phenoxymethyl)benzamide?
The InChIKey is XZXSIBOFYHGAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S/c20-17(23)10-14-12-26-19(21-14)22-18(24)16-9-5-4-6-13(16)11-25-15-7-2-1-3-8-15/h1-9,12H,10-11H2,(H2,20,23)(H,21,22,24).
What are the key properties of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(phenoxymethyl)benzamide?
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(phenoxymethyl)benzamide has a molecular weight of 367.43 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(phenoxymethyl)benzamide is sourced from PubChem (CID 24646052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).