N-[4-[3-(2-methoxyethylamino)-3-oxopropyl]-1,3-thiazol-2-yl]benzamide

C16H19N3O3S — CID 42208483

IUPACN-[4-[3-(2-methoxyethylamino)-3-oxopropyl]-1,3-thiazol-2-yl]benzamide
SMILESCOCCNC(=O)CCc1csc(NC(=O)c2ccccc2)n1
InChIInChI=1S/C16H19N3O3S/c1-22-10-9-17-14(20)8-7-13-11-23-16(18-13)19-15(21)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,17,20)(H,18,19,21)
InChIKeyCJGAQFLNDIONLK-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.09
Rot. Bonds8

About N-[4-[3-(2-methoxyethylamino)-3-oxopropyl]-1,3-thiazol-2-yl]benzamide

N-[4-[3-(2-methoxyethylamino)-3-oxopropyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 42208483) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is N-[4-[3-(2-methoxyethylamino)-3-oxopropyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-[3-(2-methoxyethylamino)-3-oxopropyl]-1,3-thiazol-2-yl]benzamide
PubChem CID42208483
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC NameN-[4-[3-(2-methoxyethylamino)-3-oxopropyl]-1,3-thiazol-2-yl]benzamide
SMILESCOCCNC(=O)CCc1csc(NC(=O)c2ccccc2)n1
InChIInChI=1S/C16H19N3O3S/c1-22-10-9-17-14(20)8-7-13-11-23-16(18-13)19-15(21)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,17,20)(H,18,19,21)
InChIKeyCJGAQFLNDIONLK-UHFFFAOYSA-N
XLogP2.09
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-[3-(2-methoxyethylamino)-3-oxopropyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 42208452
N-(2-methoxyethyl)-3-(2-phenyl-1,3-thiazol-4-yl)propanamide
CID 110332864
N-(2-methoxyethyl)-3-(2-methyl-1,3-thiazol-4-yl)propanamide
CID 110332684
N-[4-[3-(4-bromoanilino)-3-oxopropyl]-1,3-thiazol-2-yl]benzamide
CID 42208842
N-[4-[3-(5-acetamido-2-methoxyanilino)-3-oxopropyl]-1,3-thiazol-2-yl]benzamide
CID 42208889
2-benzamido-N,N-bis(2-methoxyethyl)-1,3-thiazole-4-carboxamide
CID 16914887
N-[4-[2-(2-naphthalen-1-yloxyethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 60526142
N-cyclopropyl-N-[2-[[4-[2-(2-methoxyethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide
CID 4188736
(E)-N-[4-[2-(2-methoxyethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-3-phenylprop-2-enamide
CID 41229532
N-[4-[3-[(4-methyl-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-1,3-thiazol-2-yl]benzamide
CID 42208874
N-[4-[3-[2-(4-methoxyphenyl)ethylamino]-3-oxopropyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 42208652
N-[4-[2-(ethoxyamino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 18169150

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(2-methoxyethylamino)-3-oxopropyl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of N-[4-[3-(2-methoxyethylamino)-3-oxopropyl]-1,3-thiazol-2-yl]benzamide (CID 42208483) is N-[4-[3-(2-methoxyethylamino)-3-oxopropyl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for N-[4-[3-(2-methoxyethylamino)-3-oxopropyl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for N-[4-[3-(2-methoxyethylamino)-3-oxopropyl]-1,3-thiazol-2-yl]benzamide is COCCNC(=O)CCc1csc(NC(=O)c2ccccc2)n1.
What is the InChIKey of N-[4-[3-(2-methoxyethylamino)-3-oxopropyl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is CJGAQFLNDIONLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-22-10-9-17-14(20)8-7-13-11-23-16(18-13)19-15(21)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,17,20)(H,18,19,21).
What are the key properties of N-[4-[3-(2-methoxyethylamino)-3-oxopropyl]-1,3-thiazol-2-yl]benzamide?
N-[4-[3-(2-methoxyethylamino)-3-oxopropyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 333.41 g/mol, XLogP of 2.09, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(2-methoxyethylamino)-3-oxopropyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 42208483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).