N'-[(E)-[4-chloro-2-(2-chloroanilino)-1,3-thiazol-5-yl]methylideneamino]-N-propan-2-yloxamide

C15H15Cl2N5O2S — CID 135575856

IUPACN'-[(E)-[4-chloro-2-(2-chloroanilino)-1,3-thiazol-5-yl]methylideneamino]-N-propan-2-yloxamide
SMILESCC(C)NC(=O)C(=O)N/N=C/c1sc(Nc2ccccc2Cl)nc1Cl
InChIInChI=1S/C15H15Cl2N5O2S/c1-8(2)19-13(23)14(24)22-18-7-11-12(17)21-15(25-11)20-10-6-4-3-5-9(10)16/h3-8H,1-2H3,(H,19,23)(H,20,21)(H,22,24)/b18-7+
InChIKeyXFHRGKFFWXLPBR-CNHKJKLMSA-N
MW400.29 g/mol
LogP3.17
Rot. Bonds5

About N'-[(E)-[4-chloro-2-(2-chloroanilino)-1,3-thiazol-5-yl]methylideneamino]-N-propan-2-yloxamide

N'-[(E)-[4-chloro-2-(2-chloroanilino)-1,3-thiazol-5-yl]methylideneamino]-N-propan-2-yloxamide (PubChem CID 135575856) has the molecular formula C15H15Cl2N5O2S and a molecular weight of 400.29 g/mol. Its IUPAC name is N'-[(E)-[4-chloro-2-(2-chloroanilino)-1,3-thiazol-5-yl]methylideneamino]-N-propan-2-yloxamide.

Molecular Properties

Compound NameN'-[(E)-[4-chloro-2-(2-chloroanilino)-1,3-thiazol-5-yl]methylideneamino]-N-propan-2-yloxamide
PubChem CID135575856
Molecular FormulaC15H15Cl2N5O2S
Molecular Weight400.29 g/mol
Exact Mass399.03
IUPAC NameN'-[(E)-[4-chloro-2-(2-chloroanilino)-1,3-thiazol-5-yl]methylideneamino]-N-propan-2-yloxamide
SMILESCC(C)NC(=O)C(=O)N/N=C/c1sc(Nc2ccccc2Cl)nc1Cl
InChIInChI=1S/C15H15Cl2N5O2S/c1-8(2)19-13(23)14(24)22-18-7-11-12(17)21-15(25-11)20-10-6-4-3-5-9(10)16/h3-8H,1-2H3,(H,19,23)(H,20,21)(H,22,24)/b18-7+
InChIKeyXFHRGKFFWXLPBR-CNHKJKLMSA-N
XLogP3.17
TPSA95.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.29
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(E)-(2-anilino-4-chloro-1,3-thiazol-5-yl)methylideneamino]-3-propan-2-ylthiourea
CID 135612521
N-[(E)-[4-chloro-2-(2-methylanilino)-1,3-thiazol-5-yl]methylideneamino]furan-2-carboxamide
CID 135795534
N'-[(Z)-(2,3-dichlorophenyl)methylideneamino]-N-propan-2-yloxamide
CID 9351462
N-[(E)-[4-chloro-2-(2-methoxyanilino)-1,3-thiazol-5-yl]methylideneamino]-3-hydroxybenzamide
CID 135795602
N-[(E)-[4-chloro-2-(2-methoxyanilino)-1,3-thiazol-5-yl]methylideneamino]-4-ethylbenzamide
CID 135795600
2-anilino-N-[(E)-[4-chloro-2-(4-methylanilino)-1,3-thiazol-5-yl]methylideneamino]acetamide
CID 135730941
4-chloro-5-[(E)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]-N-(2-methylphenyl)-1,3-thiazol-2-amine
CID 135795487
N-(2-chlorophenyl)-N'-[(E)-(4-propan-2-ylphenyl)methylideneamino]oxamide
CID 46741746
N-propan-2-yl-N'-[(Z)-quinoxalin-2-ylmethylideneamino]oxamide
CID 9352105
N'-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-N-propan-2-yloxamide
CID 9351587
N'-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-propan-2-yloxamide
CID 136764623
methyl 2-(2-chloroanilino)-4-methyl-1,3-thiazole-5-carboxylate
CID 78916398

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-[4-chloro-2-(2-chloroanilino)-1,3-thiazol-5-yl]methylideneamino]-N-propan-2-yloxamide?
The IUPAC name of N'-[(E)-[4-chloro-2-(2-chloroanilino)-1,3-thiazol-5-yl]methylideneamino]-N-propan-2-yloxamide (CID 135575856) is N'-[(E)-[4-chloro-2-(2-chloroanilino)-1,3-thiazol-5-yl]methylideneamino]-N-propan-2-yloxamide.
What is the SMILES notation for N'-[(E)-[4-chloro-2-(2-chloroanilino)-1,3-thiazol-5-yl]methylideneamino]-N-propan-2-yloxamide?
The canonical SMILES for N'-[(E)-[4-chloro-2-(2-chloroanilino)-1,3-thiazol-5-yl]methylideneamino]-N-propan-2-yloxamide is CC(C)NC(=O)C(=O)N/N=C/c1sc(Nc2ccccc2Cl)nc1Cl.
What is the InChIKey of N'-[(E)-[4-chloro-2-(2-chloroanilino)-1,3-thiazol-5-yl]methylideneamino]-N-propan-2-yloxamide?
The InChIKey is XFHRGKFFWXLPBR-CNHKJKLMSA-N. The full InChI is InChI=1S/C15H15Cl2N5O2S/c1-8(2)19-13(23)14(24)22-18-7-11-12(17)21-15(25-11)20-10-6-4-3-5-9(10)16/h3-8H,1-2H3,(H,19,23)(H,20,21)(H,22,24)/b18-7+.
What are the key properties of N'-[(E)-[4-chloro-2-(2-chloroanilino)-1,3-thiazol-5-yl]methylideneamino]-N-propan-2-yloxamide?
N'-[(E)-[4-chloro-2-(2-chloroanilino)-1,3-thiazol-5-yl]methylideneamino]-N-propan-2-yloxamide has a molecular weight of 400.29 g/mol, XLogP of 3.17, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-[4-chloro-2-(2-chloroanilino)-1,3-thiazol-5-yl]methylideneamino]-N-propan-2-yloxamide is sourced from PubChem (CID 135575856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).