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

C15H10ClN3OS — CID 15366501

IUPACN-[(E)-(4-chlorophenyl)methylideneamino]-1,3-benzothiazole-2-carboxamide
SMILESO=C(N/N=C/c1ccc(Cl)cc1)c1nc2ccccc2s1
InChIInChI=1S/C15H10ClN3OS/c16-11-7-5-10(6-8-11)9-17-19-14(20)15-18-12-3-1-2-4-13(12)21-15/h1-9H,(H,19,20)/b17-9+
InChIKeyMZOSJKUMMPHEBP-RQZCQDPDSA-N
MW315.79 g/mol
LogP3.71
Rot. Bonds3

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

N-[(E)-(4-chlorophenyl)methylideneamino]-1,3-benzothiazole-2-carboxamide (PubChem CID 15366501) has the molecular formula C15H10ClN3OS and a molecular weight of 315.79 g/mol. Its IUPAC name is N-[(E)-(4-chlorophenyl)methylideneamino]-1,3-benzothiazole-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(4-chlorophenyl)methylideneamino]-1,3-benzothiazole-2-carboxamide
PubChem CID15366501
Molecular FormulaC15H10ClN3OS
Molecular Weight315.79 g/mol
Exact Mass315.02
IUPAC NameN-[(E)-(4-chlorophenyl)methylideneamino]-1,3-benzothiazole-2-carboxamide
SMILESO=C(N/N=C/c1ccc(Cl)cc1)c1nc2ccccc2s1
InChIInChI=1S/C15H10ClN3OS/c16-11-7-5-10(6-8-11)9-17-19-14(20)15-18-12-3-1-2-4-13(12)21-15/h1-9H,(H,19,20)/b17-9+
InChIKeyMZOSJKUMMPHEBP-RQZCQDPDSA-N
XLogP3.71
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.79
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2-(4-chlorophenyl)-N-[(Z)-(4-chlorophenyl)methylideneamino]quinoline-4-carboxamide
CID 6018780
N-[(E)-1,3-benzothiazol-2-ylmethylideneamino]-5-chloro-2-hydroxybenzamide
CID 162738361
N-[(4-chlorophenyl)methylideneamino]-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 5161024
N-[(E)-(4-chlorophenyl)methylideneamino]-3-oxo-4H-quinoxaline-2-carboxamide
CID 90481651
N-[[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]benzamide
CID 3521596
2-(1,3-benzothiazol-2-yl)-N-(4-chlorophenyl)-3-(3,4-dihydroxyphenyl)prop-2-enamide
CID 4045786
4-chloro-N-[(Z)-(4-phenylsulfanylphenyl)methylideneamino]benzamide
CID 126197594
3-chloro-N-[(4-methoxyphenyl)methylideneamino]-1-benzothiophene-2-carboxamide
CID 968649
2-(1,3-benzothiazol-2-ylamino)-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide
CID 135771298
[4-[(Z)-[(3-chloro-1-benzothiophene-2-carbonyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 6076614
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-(4-methylphenyl)methylideneamino]propanamide
CID 86771762
4-[(Z)-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]hydrazinylidene]methyl]benzoic acid
CID 5435376

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-chlorophenyl)methylideneamino]-1,3-benzothiazole-2-carboxamide?
The IUPAC name of N-[(E)-(4-chlorophenyl)methylideneamino]-1,3-benzothiazole-2-carboxamide (CID 15366501) is N-[(E)-(4-chlorophenyl)methylideneamino]-1,3-benzothiazole-2-carboxamide.
What is the SMILES notation for N-[(E)-(4-chlorophenyl)methylideneamino]-1,3-benzothiazole-2-carboxamide?
The canonical SMILES for N-[(E)-(4-chlorophenyl)methylideneamino]-1,3-benzothiazole-2-carboxamide is O=C(N/N=C/c1ccc(Cl)cc1)c1nc2ccccc2s1.
What is the InChIKey of N-[(E)-(4-chlorophenyl)methylideneamino]-1,3-benzothiazole-2-carboxamide?
The InChIKey is MZOSJKUMMPHEBP-RQZCQDPDSA-N. The full InChI is InChI=1S/C15H10ClN3OS/c16-11-7-5-10(6-8-11)9-17-19-14(20)15-18-12-3-1-2-4-13(12)21-15/h1-9H,(H,19,20)/b17-9+.
What are the key properties of N-[(E)-(4-chlorophenyl)methylideneamino]-1,3-benzothiazole-2-carboxamide?
N-[(E)-(4-chlorophenyl)methylideneamino]-1,3-benzothiazole-2-carboxamide has a molecular weight of 315.79 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-chlorophenyl)methylideneamino]-1,3-benzothiazole-2-carboxamide is sourced from PubChem (CID 15366501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).