N-[(4-chlorophenyl)methylideneamino]-6-methyl-1,3-benzothiazol-2-amine

C15H12ClN3S — CID 91970272

IUPACN-[(4-chlorophenyl)methylideneamino]-6-methyl-1,3-benzothiazol-2-amine
SMILESCc1ccc2nc(NN=Cc3ccc(Cl)cc3)sc2c1
InChIInChI=1S/C15H12ClN3S/c1-10-2-7-13-14(8-10)20-15(18-13)19-17-9-11-3-5-12(16)6-4-11/h2-9H,1H3,(H,18,19)
InChIKeyHCPBZHPMLYOVQN-UHFFFAOYSA-N
MW301.80 g/mol
LogP4.70
Rot. Bonds3

About N-[(4-chlorophenyl)methylideneamino]-6-methyl-1,3-benzothiazol-2-amine

N-[(4-chlorophenyl)methylideneamino]-6-methyl-1,3-benzothiazol-2-amine (PubChem CID 91970272) has the molecular formula C15H12ClN3S and a molecular weight of 301.80 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methylideneamino]-6-methyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methylideneamino]-6-methyl-1,3-benzothiazol-2-amine
PubChem CID91970272
Molecular FormulaC15H12ClN3S
Molecular Weight301.80 g/mol
Exact Mass301.04
IUPAC NameN-[(4-chlorophenyl)methylideneamino]-6-methyl-1,3-benzothiazol-2-amine
SMILESCc1ccc2nc(NN=Cc3ccc(Cl)cc3)sc2c1
InChIInChI=1S/C15H12ClN3S/c1-10-2-7-13-14(8-10)20-15(18-13)19-17-9-11-3-5-12(16)6-4-11/h2-9H,1H3,(H,18,19)
InChIKeyHCPBZHPMLYOVQN-UHFFFAOYSA-N
XLogP4.70
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.80
LogP ≤ 54.70
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

6-methyl-N-[(Z)-(4-phenoxyphenyl)methylideneamino]-1,3-benzothiazol-2-amine
CID 57395157
N-[(Z)-(2,4-dimethylphenyl)methylideneamino]-1,3-benzothiazol-2-amine
CID 9017119
6-methyl-N-(methyldiazenyl)-1,3-benzothiazol-2-amine
CID 19154621
N-[1-(4-chlorophenyl)ethyl]-6-methyl-1,3-benzothiazol-2-amine
CID 79142758
N-(2-chloro-5-methylphenyl)-6-methyl-1,3-benzothiazol-2-amine
CID 107637469
6-chloro-N-(2-fluoro-5-methylphenyl)-1,3-benzothiazol-2-amine
CID 79528338
N-[(E)-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-1,3-benzothiazol-2-amine
CID 6868146
2-ethoxy-6-[[(6-methyl-1,3-benzothiazol-2-yl)hydrazinylidene]methyl]phenol
CID 136700742
2-chloro-6-methyl-1,3-benzothiazole
CID 2049866
6-methyl-N-(4-methylphenyl)-1,3-benzothiazol-2-amine
CID 12955114
N-[(3-bromo-4-methylphenyl)methylideneamino]-1,3-benzothiazol-2-amine
CID 3531137
N-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-1,3-benzothiazol-2-amine
CID 3136850

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methylideneamino]-6-methyl-1,3-benzothiazol-2-amine?
The IUPAC name of N-[(4-chlorophenyl)methylideneamino]-6-methyl-1,3-benzothiazol-2-amine (CID 91970272) is N-[(4-chlorophenyl)methylideneamino]-6-methyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-[(4-chlorophenyl)methylideneamino]-6-methyl-1,3-benzothiazol-2-amine?
The canonical SMILES for N-[(4-chlorophenyl)methylideneamino]-6-methyl-1,3-benzothiazol-2-amine is Cc1ccc2nc(NN=Cc3ccc(Cl)cc3)sc2c1.
What is the InChIKey of N-[(4-chlorophenyl)methylideneamino]-6-methyl-1,3-benzothiazol-2-amine?
The InChIKey is HCPBZHPMLYOVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3S/c1-10-2-7-13-14(8-10)20-15(18-13)19-17-9-11-3-5-12(16)6-4-11/h2-9H,1H3,(H,18,19).
What are the key properties of N-[(4-chlorophenyl)methylideneamino]-6-methyl-1,3-benzothiazol-2-amine?
N-[(4-chlorophenyl)methylideneamino]-6-methyl-1,3-benzothiazol-2-amine has a molecular weight of 301.80 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methylideneamino]-6-methyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 91970272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).