N-(3-chloro-4-methoxyphenyl)-2-[2-(4-chlorophenyl)imino-3-methyl-1,3-thiazol-4-yl]acetamide

C19H17Cl2N3O2S — CID 11683989

IUPACN-(3-chloro-4-methoxyphenyl)-2-[2-(4-chlorophenyl)imino-3-methyl-1,3-thiazol-4-yl]acetamide
SMILESCOc1ccc(NC(=O)Cc2cs/c(=N\c3ccc(Cl)cc3)n2C)cc1Cl
InChIInChI=1S/C19H17Cl2N3O2S/c1-24-15(11-27-19(24)23-13-5-3-12(20)4-6-13)10-18(25)22-14-7-8-17(26-2)16(21)9-14/h3-9,11H,10H2,1-2H3,(H,22,25)/b23-19-
InChIKeyPBGFCCPKKNTJGC-NMWGTECJSA-N
MW422.34 g/mol
LogP4.82
Rot. Bonds5

About N-(3-chloro-4-methoxyphenyl)-2-[2-(4-chlorophenyl)imino-3-methyl-1,3-thiazol-4-yl]acetamide

N-(3-chloro-4-methoxyphenyl)-2-[2-(4-chlorophenyl)imino-3-methyl-1,3-thiazol-4-yl]acetamide (PubChem CID 11683989) has the molecular formula C19H17Cl2N3O2S and a molecular weight of 422.34 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-[2-(4-chlorophenyl)imino-3-methyl-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-[2-(4-chlorophenyl)imino-3-methyl-1,3-thiazol-4-yl]acetamide
PubChem CID11683989
Molecular FormulaC19H17Cl2N3O2S
Molecular Weight422.34 g/mol
Exact Mass421.04
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-[2-(4-chlorophenyl)imino-3-methyl-1,3-thiazol-4-yl]acetamide
SMILESCOc1ccc(NC(=O)Cc2cs/c(=N\c3ccc(Cl)cc3)n2C)cc1Cl
InChIInChI=1S/C19H17Cl2N3O2S/c1-24-15(11-27-19(24)23-13-5-3-12(20)4-6-13)10-18(25)22-14-7-8-17(26-2)16(21)9-14/h3-9,11H,10H2,1-2H3,(H,22,25)/b23-19-
InChIKeyPBGFCCPKKNTJGC-NMWGTECJSA-N
XLogP4.82
TPSA55.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.34
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

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Related Compounds

2-(2-cyclohexylimino-3-methyl-1,3-thiazol-4-yl)-N-(3,4-dimethoxyphenyl)acetamide
CID 25119955
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CID 7934807
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CID 4945268
2-[2-(4-methoxyphenyl)imino-3-methyl-1,3-thiazol-4-yl]acetic acid
CID 21439993
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N-(3-chloro-4-methoxyphenyl)butanamide
CID 875969
N-(3-chloro-4-methoxyphenyl)-N'-(2,6-difluorophenyl)propanediamide
CID 108955436
N-(3-chloro-4-methoxyphenyl)-2-(2-hydroxyethylsulfanyl)acetamide
CID 2959650
N-(3-chloro-4-methoxyphenyl)-2-(2,5-dimethylpyrrol-1-yl)acetamide
CID 4571026
2-(3-aminophenyl)-N-(3-chloro-4-methoxyphenyl)acetamide
CID 28712195
N-(3-chloro-4-methoxyphenyl)-2-(4-ethoxyphenyl)acetamide
CID 26823011
N-(3-chloro-4-methoxyphenyl)-2-[2-[(3-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetamide
CID 16900616

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[2-(4-chlorophenyl)imino-3-methyl-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[2-(4-chlorophenyl)imino-3-methyl-1,3-thiazol-4-yl]acetamide (CID 11683989) is N-(3-chloro-4-methoxyphenyl)-2-[2-(4-chlorophenyl)imino-3-methyl-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-[2-(4-chlorophenyl)imino-3-methyl-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-[2-(4-chlorophenyl)imino-3-methyl-1,3-thiazol-4-yl]acetamide is COc1ccc(NC(=O)Cc2cs/c(=N\c3ccc(Cl)cc3)n2C)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-[2-(4-chlorophenyl)imino-3-methyl-1,3-thiazol-4-yl]acetamide?
The InChIKey is PBGFCCPKKNTJGC-NMWGTECJSA-N. The full InChI is InChI=1S/C19H17Cl2N3O2S/c1-24-15(11-27-19(24)23-13-5-3-12(20)4-6-13)10-18(25)22-14-7-8-17(26-2)16(21)9-14/h3-9,11H,10H2,1-2H3,(H,22,25)/b23-19-.
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-[2-(4-chlorophenyl)imino-3-methyl-1,3-thiazol-4-yl]acetamide?
N-(3-chloro-4-methoxyphenyl)-2-[2-(4-chlorophenyl)imino-3-methyl-1,3-thiazol-4-yl]acetamide has a molecular weight of 422.34 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-[2-(4-chlorophenyl)imino-3-methyl-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 11683989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).