2-[2-[(2,4-dichlorophenyl)methylamino]phenyl]-2-imino-N-(1,3-thiazol-2-yl)acetamide

C18H14Cl2N4OS — CID 163876538

IUPAC2-[2-[(2,4-dichlorophenyl)methylamino]phenyl]-2-imino-N-(1,3-thiazol-2-yl)acetamide
SMILES[H]/N=C(\C(=O)Nc1nccs1)c1ccccc1NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H14Cl2N4OS/c19-12-6-5-11(14(20)9-12)10-23-15-4-2-1-3-13(15)16(21)17(25)24-18-22-7-8-26-18/h1-9,21,23H,10H2,(H,22,24,25)/b21-16-
InChIKeyPPJMRTFZZOBKNB-PGMHBOJBSA-N
MW405.31 g/mol
LogP5.07
Rot. Bonds6

About 2-[2-[(2,4-dichlorophenyl)methylamino]phenyl]-2-imino-N-(1,3-thiazol-2-yl)acetamide

2-[2-[(2,4-dichlorophenyl)methylamino]phenyl]-2-imino-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 163876538) has the molecular formula C18H14Cl2N4OS and a molecular weight of 405.31 g/mol. Its IUPAC name is 2-[2-[(2,4-dichlorophenyl)methylamino]phenyl]-2-imino-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[2-[(2,4-dichlorophenyl)methylamino]phenyl]-2-imino-N-(1,3-thiazol-2-yl)acetamide
PubChem CID163876538
Molecular FormulaC18H14Cl2N4OS
Molecular Weight405.31 g/mol
Exact Mass404.03
IUPAC Name2-[2-[(2,4-dichlorophenyl)methylamino]phenyl]-2-imino-N-(1,3-thiazol-2-yl)acetamide
SMILES[H]/N=C(\C(=O)Nc1nccs1)c1ccccc1NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H14Cl2N4OS/c19-12-6-5-11(14(20)9-12)10-23-15-4-2-1-3-13(15)16(21)17(25)24-18-22-7-8-26-18/h1-9,21,23H,10H2,(H,22,24,25)/b21-16-
InChIKeyPPJMRTFZZOBKNB-PGMHBOJBSA-N
XLogP5.07
TPSA77.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.31
LogP ≤ 55.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(2,4-dichlorophenyl)methylamino]-4-sulfanylphenyl]-2-iminoacetohydrazide
CID 143191965
2-[2-[(2-chlorophenyl)methylamino]phenyl]-2-iminoacetic acid
CID 143179363
2-[2-[(2,4-dichlorophenyl)methylamino]-4-(trifluoromethyl)phenyl]-2-iminoacetohydrazide
CID 143191952
2-[2-[(4-chloro-2-methylphenyl)methylamino]phenyl]-2-iminoacetaldehyde
CID 143179345
N-[(2,4-dichlorophenyl)methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 87487495
N-[(2,4-dichlorophenyl)methyl]-2-methylaniline
CID 28557135
2-(1,3-thiazol-2-ylmethylamino)benzoic acid
CID 62231705
1-(3-chloro-4-hydroxyphenyl)-3-(1,3-thiazol-2-yl)urea
CID 99831962
N-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethoxy)aniline
CID 29291752
2,4-dichloro-N-[(2,4-dichlorophenyl)methyl]aniline
CID 13339999
N-[(2,4-dichlorophenyl)methyl]-2-methoxypyridin-3-amine
CID 43721777
N-[(2,4-dichlorophenyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 134042609

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2,4-dichlorophenyl)methylamino]phenyl]-2-imino-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[2-[(2,4-dichlorophenyl)methylamino]phenyl]-2-imino-N-(1,3-thiazol-2-yl)acetamide (CID 163876538) is 2-[2-[(2,4-dichlorophenyl)methylamino]phenyl]-2-imino-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[2-[(2,4-dichlorophenyl)methylamino]phenyl]-2-imino-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[2-[(2,4-dichlorophenyl)methylamino]phenyl]-2-imino-N-(1,3-thiazol-2-yl)acetamide is [H]/N=C(\C(=O)Nc1nccs1)c1ccccc1NCc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[2-[(2,4-dichlorophenyl)methylamino]phenyl]-2-imino-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is PPJMRTFZZOBKNB-PGMHBOJBSA-N. The full InChI is InChI=1S/C18H14Cl2N4OS/c19-12-6-5-11(14(20)9-12)10-23-15-4-2-1-3-13(15)16(21)17(25)24-18-22-7-8-26-18/h1-9,21,23H,10H2,(H,22,24,25)/b21-16-.
What are the key properties of 2-[2-[(2,4-dichlorophenyl)methylamino]phenyl]-2-imino-N-(1,3-thiazol-2-yl)acetamide?
2-[2-[(2,4-dichlorophenyl)methylamino]phenyl]-2-imino-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 405.31 g/mol, XLogP of 5.07, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2,4-dichlorophenyl)methylamino]phenyl]-2-imino-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 163876538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).