N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-methoxyanilino)acetamide

C19H18ClN3O2S — CID 2239682

IUPACN-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-methoxyanilino)acetamide
SMILESCOc1ccc(NCC(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)cc1
InChIInChI=1S/C19H18ClN3O2S/c1-25-16-7-5-15(6-8-16)21-12-18(24)23-19-22-11-17(26-19)10-13-3-2-4-14(20)9-13/h2-9,11,21H,10,12H2,1H3,(H,22,23,24)
InChIKeyUYQGOCWZPFRKAA-UHFFFAOYSA-N
MW387.89 g/mol
LogP4.45
Rot. Bonds7

About N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-methoxyanilino)acetamide

N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-methoxyanilino)acetamide (PubChem CID 2239682) has the molecular formula C19H18ClN3O2S and a molecular weight of 387.89 g/mol. Its IUPAC name is N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-methoxyanilino)acetamide.

Molecular Properties

Compound NameN-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-methoxyanilino)acetamide
PubChem CID2239682
Molecular FormulaC19H18ClN3O2S
Molecular Weight387.89 g/mol
Exact Mass387.08
IUPAC NameN-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-methoxyanilino)acetamide
SMILESCOc1ccc(NCC(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)cc1
InChIInChI=1S/C19H18ClN3O2S/c1-25-16-7-5-15(6-8-16)21-12-18(24)23-19-22-11-17(26-19)10-13-3-2-4-14(20)9-13/h2-9,11,21H,10,12H2,1H3,(H,22,23,24)
InChIKeyUYQGOCWZPFRKAA-UHFFFAOYSA-N
XLogP4.45
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.89
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 30174224
N-[5-[(3,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(3-methylanilino)acetamide
CID 2239853
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 18836139
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4,5-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 87673833
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(4-methylphenoxy)benzamide
CID 16651082
N-(5-benzyl-1,3-thiazol-2-yl)-2-(4-propan-2-ylanilino)acetamide
CID 7454424
N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-methylanilino)acetamide
CID 1187810
N-[5-[(3-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-(3-methylanilino)acetamide
CID 7454421
5-bromo-N-[2-[[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]furan-2-carboxamide
CID 42353416
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2,3-dimethoxybenzamide
CID 42027870
2-(2,5-dichlorophenoxy)-N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 23799625
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(methoxymethyl)benzamide
CID 42353300

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-methoxyanilino)acetamide?
The IUPAC name of N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-methoxyanilino)acetamide (CID 2239682) is N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-methoxyanilino)acetamide.
What is the SMILES notation for N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-methoxyanilino)acetamide?
The canonical SMILES for N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-methoxyanilino)acetamide is COc1ccc(NCC(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)cc1.
What is the InChIKey of N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-methoxyanilino)acetamide?
The InChIKey is UYQGOCWZPFRKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2S/c1-25-16-7-5-15(6-8-16)21-12-18(24)23-19-22-11-17(26-19)10-13-3-2-4-14(20)9-13/h2-9,11,21H,10,12H2,1H3,(H,22,23,24).
What are the key properties of N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-methoxyanilino)acetamide?
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-methoxyanilino)acetamide has a molecular weight of 387.89 g/mol, XLogP of 4.45, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-methoxyanilino)acetamide is sourced from PubChem (CID 2239682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).