2-amino-N-[(Z)-(4-fluorophenyl)methylideneamino]-1,3-benzothiazole-6-carboxamide

C15H11FN4OS — CID 110522605

IUPAC2-amino-N-[(Z)-(4-fluorophenyl)methylideneamino]-1,3-benzothiazole-6-carboxamide
SMILESNc1nc2ccc(C(=O)N/N=C\c3ccc(F)cc3)cc2s1
InChIInChI=1S/C15H11FN4OS/c16-11-4-1-9(2-5-11)8-18-20-14(21)10-3-6-12-13(7-10)22-15(17)19-12/h1-8H,(H2,17,19)(H,20,21)/b18-8-
InChIKeyPMQGJVMEBRGBAI-LSCVHKIXSA-N
MW314.35 g/mol
LogP2.78
Rot. Bonds3

About 2-amino-N-[(Z)-(4-fluorophenyl)methylideneamino]-1,3-benzothiazole-6-carboxamide

2-amino-N-[(Z)-(4-fluorophenyl)methylideneamino]-1,3-benzothiazole-6-carboxamide (PubChem CID 110522605) has the molecular formula C15H11FN4OS and a molecular weight of 314.35 g/mol. Its IUPAC name is 2-amino-N-[(Z)-(4-fluorophenyl)methylideneamino]-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(Z)-(4-fluorophenyl)methylideneamino]-1,3-benzothiazole-6-carboxamide
PubChem CID110522605
Molecular FormulaC15H11FN4OS
Molecular Weight314.35 g/mol
Exact Mass314.06
IUPAC Name2-amino-N-[(Z)-(4-fluorophenyl)methylideneamino]-1,3-benzothiazole-6-carboxamide
SMILESNc1nc2ccc(C(=O)N/N=C\c3ccc(F)cc3)cc2s1
InChIInChI=1S/C15H11FN4OS/c16-11-4-1-9(2-5-11)8-18-20-14(21)10-3-6-12-13(7-10)22-15(17)19-12/h1-8H,(H2,17,19)(H,20,21)/b18-8-
InChIKeyPMQGJVMEBRGBAI-LSCVHKIXSA-N
XLogP2.78
TPSA80.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-amino-N-[(Z)-(4-fluorophenyl)methylideneamino]-1,3-benzothiazole-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-(4-fluorophenyl)-1,3-benzothiazole-6-carboxamide
CID 60636089
2-amino-N-[(Z)-(4-methoxy-3-propan-2-yloxyphenyl)methylideneamino]-1,3-benzothiazole-6-carboxamide
CID 110522564
2-amino-N-[(Z)-(3-bromo-4-propan-2-yloxyphenyl)methylideneamino]-1,3-benzothiazole-6-carboxamide
CID 110522518
2-amino-N-[(Z)-(3,5-dichloro-2,4-dihydroxyphenyl)methylideneamino]-1,3-benzothiazole-6-carboxamide
CID 136874279
2-amino-N-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]-1,3-benzothiazole-6-carboxamide
CID 110522484
2-amino-N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-1,3-benzothiazole-6-carboxamide
CID 110522604
4-fluoro-N-[(E)-(4-fluorophenyl)methylideneamino]benzamide
CID 5333155
4-fluoro-N-[(Z)-(4-fluorophenyl)methylideneamino]benzamide
CID 5394348
2-amino-N-[(Z)-(3-nitro-4-propoxyphenyl)methylideneamino]-1,3-benzothiazole-6-carboxamide
CID 110522532
2-amino-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]-1,3-benzothiazole-6-carboxamide
CID 110522559
2-amino-N-(4-fluorophenyl)-N-methyl-1,3-benzothiazole-6-carboxamide
CID 65349019
N-[(4-fluorophenyl)methylideneamino]benzamide
CID 724426

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(Z)-(4-fluorophenyl)methylideneamino]-1,3-benzothiazole-6-carboxamide?
The IUPAC name of 2-amino-N-[(Z)-(4-fluorophenyl)methylideneamino]-1,3-benzothiazole-6-carboxamide (CID 110522605) is 2-amino-N-[(Z)-(4-fluorophenyl)methylideneamino]-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for 2-amino-N-[(Z)-(4-fluorophenyl)methylideneamino]-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for 2-amino-N-[(Z)-(4-fluorophenyl)methylideneamino]-1,3-benzothiazole-6-carboxamide is Nc1nc2ccc(C(=O)N/N=C\c3ccc(F)cc3)cc2s1.
What is the InChIKey of 2-amino-N-[(Z)-(4-fluorophenyl)methylideneamino]-1,3-benzothiazole-6-carboxamide?
The InChIKey is PMQGJVMEBRGBAI-LSCVHKIXSA-N. The full InChI is InChI=1S/C15H11FN4OS/c16-11-4-1-9(2-5-11)8-18-20-14(21)10-3-6-12-13(7-10)22-15(17)19-12/h1-8H,(H2,17,19)(H,20,21)/b18-8-.
What are the key properties of 2-amino-N-[(Z)-(4-fluorophenyl)methylideneamino]-1,3-benzothiazole-6-carboxamide?
2-amino-N-[(Z)-(4-fluorophenyl)methylideneamino]-1,3-benzothiazole-6-carboxamide has a molecular weight of 314.35 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(Z)-(4-fluorophenyl)methylideneamino]-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 110522605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).