N-[(E)-(4-chlorophenyl)methylideneamino]-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide

C18H15ClN4O2S — CID 171350714

IUPACN-[(E)-(4-chlorophenyl)methylideneamino]-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(Nc2nc(C(=O)N/N=C/c3ccc(Cl)cc3)cs2)cc1
InChIInChI=1S/C18H15ClN4O2S/c1-25-15-8-6-14(7-9-15)21-18-22-16(11-26-18)17(24)23-20-10-12-2-4-13(19)5-3-12/h2-11H,1H3,(H,21,22)(H,23,24)/b20-10+
InChIKeyURFPHFWNERJHCB-KEBDBYFISA-N
MW386.86 g/mol
LogP4.31
Rot. Bonds6

About N-[(E)-(4-chlorophenyl)methylideneamino]-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide

N-[(E)-(4-chlorophenyl)methylideneamino]-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide (PubChem CID 171350714) has the molecular formula C18H15ClN4O2S and a molecular weight of 386.86 g/mol. Its IUPAC name is N-[(E)-(4-chlorophenyl)methylideneamino]-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-(4-chlorophenyl)methylideneamino]-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide
PubChem CID171350714
Molecular FormulaC18H15ClN4O2S
Molecular Weight386.86 g/mol
Exact Mass386.06
IUPAC NameN-[(E)-(4-chlorophenyl)methylideneamino]-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(Nc2nc(C(=O)N/N=C/c3ccc(Cl)cc3)cs2)cc1
InChIInChI=1S/C18H15ClN4O2S/c1-25-15-8-6-14(7-9-15)21-18-22-16(11-26-18)17(24)23-20-10-12-2-4-13(19)5-3-12/h2-11H,1H3,(H,21,22)(H,23,24)/b20-10+
InChIKeyURFPHFWNERJHCB-KEBDBYFISA-N
XLogP4.31
TPSA75.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.86
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(4-chlorophenyl)-N-(4-methoxyphenyl)thiazol-2-amine
CID 768022
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[1-(4-methoxyanilino)-4,5-dimethylimidazol-2-yl]sulfanylacetamide
CID 54613443
2-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 1472599
2-[(4-methoxyphenyl)carbamothioylamino]-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide
CID 168277005
2-[4-[[1-[(4-Chlorophenyl)methyl]-5-methyl-4,6-dioxo-1,3,5-triazin-2-yl]amino]phenoxy]-1,3-thiazole-4-carboxamide
CID 68021192
3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-4-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione
CID 46193012
2-[(4-methoxyphenyl)carbamothioylamino]-N-(3-phenylpropyl)-1,3-thiazole-4-carboxamide
CID 168274826
N-benzyl-2-[(4-methoxyphenyl)carbamothioylamino]-1,3-thiazole-4-carboxamide
CID 168288928
2-(4-chloroanilino)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-1,3-thiazole-4-carboxamide
CID 171342083
2-(4-chloroanilino)-N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-1,3-thiazole-4-carboxamide
CID 171343100
N-[(E)-benzylideneamino]-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide
CID 171343681
2-(4-methoxyanilino)-N-[(E)-(4-methoxyphenyl)methylideneamino]-1,3-thiazole-4-carboxamide
CID 171346165

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-chlorophenyl)methylideneamino]-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(E)-(4-chlorophenyl)methylideneamino]-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide (CID 171350714) is N-[(E)-(4-chlorophenyl)methylideneamino]-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(E)-(4-chlorophenyl)methylideneamino]-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(E)-(4-chlorophenyl)methylideneamino]-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide is COc1ccc(Nc2nc(C(=O)N/N=C/c3ccc(Cl)cc3)cs2)cc1.
What is the InChIKey of N-[(E)-(4-chlorophenyl)methylideneamino]-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide?
The InChIKey is URFPHFWNERJHCB-KEBDBYFISA-N. The full InChI is InChI=1S/C18H15ClN4O2S/c1-25-15-8-6-14(7-9-15)21-18-22-16(11-26-18)17(24)23-20-10-12-2-4-13(19)5-3-12/h2-11H,1H3,(H,21,22)(H,23,24)/b20-10+.
What are the key properties of N-[(E)-(4-chlorophenyl)methylideneamino]-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide?
N-[(E)-(4-chlorophenyl)methylideneamino]-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide has a molecular weight of 386.86 g/mol, XLogP of 4.31, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-chlorophenyl)methylideneamino]-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 171350714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).