N-[3-[(5-acetyl-4-phenyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]benzamide

C21H19N3O3S — CID 26196521

IUPACN-[3-[(5-acetyl-4-phenyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]benzamide
SMILESCC(=O)c1sc(NC(=O)CCNC(=O)c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C21H19N3O3S/c1-14(25)19-18(15-8-4-2-5-9-15)24-21(28-19)23-17(26)12-13-22-20(27)16-10-6-3-7-11-16/h2-11H,12-13H2,1H3,(H,22,27)(H,23,24,26)
InChIKeyOLSKJNUFSKKNKW-UHFFFAOYSA-N
MW393.47 g/mol
LogP3.77
Rot. Bonds7

About N-[3-[(5-acetyl-4-phenyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]benzamide

N-[3-[(5-acetyl-4-phenyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]benzamide (PubChem CID 26196521) has the molecular formula C21H19N3O3S and a molecular weight of 393.47 g/mol. Its IUPAC name is N-[3-[(5-acetyl-4-phenyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]benzamide.

Molecular Properties

Compound NameN-[3-[(5-acetyl-4-phenyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]benzamide
PubChem CID26196521
Molecular FormulaC21H19N3O3S
Molecular Weight393.47 g/mol
Exact Mass393.11
IUPAC NameN-[3-[(5-acetyl-4-phenyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]benzamide
SMILESCC(=O)c1sc(NC(=O)CCNC(=O)c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C21H19N3O3S/c1-14(25)19-18(15-8-4-2-5-9-15)24-21(28-19)23-17(26)12-13-22-20(27)16-10-6-3-7-11-16/h2-11H,12-13H2,1H3,(H,22,27)(H,23,24,26)
InChIKeyOLSKJNUFSKKNKW-UHFFFAOYSA-N
XLogP3.77
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(5-acetyl-4-phenyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]-4-bromobenzamide
CID 26196562
ethyl 2-(3-benzamidopropanoylamino)-4-phenyl-1,3-thiazole-5-carboxylate
CID 16566727
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-phenylbenzamide
CID 7920283
N-[3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]benzamide
CID 18128642
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-methylbutanamide
CID 31288202
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-bromobenzamide
CID 7920269
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-bromophenyl)acetamide
CID 26196726
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-fluorobenzamide
CID 8918479
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-(4-chlorophenyl)sulfanylbutanamide
CID 41272183
4-bromo-N-[3-[[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide
CID 2468731
N-[3-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide
CID 43000018
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)benzamide
CID 981611

Frequently Asked Questions

What is the IUPAC name of N-[3-[(5-acetyl-4-phenyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]benzamide?
The IUPAC name of N-[3-[(5-acetyl-4-phenyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]benzamide (CID 26196521) is N-[3-[(5-acetyl-4-phenyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]benzamide.
What is the SMILES notation for N-[3-[(5-acetyl-4-phenyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]benzamide?
The canonical SMILES for N-[3-[(5-acetyl-4-phenyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]benzamide is CC(=O)c1sc(NC(=O)CCNC(=O)c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of N-[3-[(5-acetyl-4-phenyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]benzamide?
The InChIKey is OLSKJNUFSKKNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3S/c1-14(25)19-18(15-8-4-2-5-9-15)24-21(28-19)23-17(26)12-13-22-20(27)16-10-6-3-7-11-16/h2-11H,12-13H2,1H3,(H,22,27)(H,23,24,26).
What are the key properties of N-[3-[(5-acetyl-4-phenyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]benzamide?
N-[3-[(5-acetyl-4-phenyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]benzamide has a molecular weight of 393.47 g/mol, XLogP of 3.77, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(5-acetyl-4-phenyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]benzamide is sourced from PubChem (CID 26196521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).