N-[(E)-(2-chloro-6-methoxyquinolin-3-yl)methylideneamino]-4-pyridin-4-yl-1,3-thiazol-2-amine

C19H14ClN5OS — CID 170903101

IUPACN-[(E)-(2-chloro-6-methoxyquinolin-3-yl)methylideneamino]-4-pyridin-4-yl-1,3-thiazol-2-amine
SMILESCOc1ccc2nc(Cl)c(/C=N/Nc3nc(-c4ccncc4)cs3)cc2c1
InChIInChI=1S/C19H14ClN5OS/c1-26-15-2-3-16-13(9-15)8-14(18(20)23-16)10-22-25-19-24-17(11-27-19)12-4-6-21-7-5-12/h2-11H,1H3,(H,24,25)/b22-10+
InChIKeyJVKCECOOPPAJLS-LSHDLFTRSA-N
MW395.88 g/mol
LogP4.86
Rot. Bonds5

About N-[(E)-(2-chloro-6-methoxyquinolin-3-yl)methylideneamino]-4-pyridin-4-yl-1,3-thiazol-2-amine

N-[(E)-(2-chloro-6-methoxyquinolin-3-yl)methylideneamino]-4-pyridin-4-yl-1,3-thiazol-2-amine (PubChem CID 170903101) has the molecular formula C19H14ClN5OS and a molecular weight of 395.88 g/mol. Its IUPAC name is N-[(E)-(2-chloro-6-methoxyquinolin-3-yl)methylideneamino]-4-pyridin-4-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(E)-(2-chloro-6-methoxyquinolin-3-yl)methylideneamino]-4-pyridin-4-yl-1,3-thiazol-2-amine
PubChem CID170903101
Molecular FormulaC19H14ClN5OS
Molecular Weight395.88 g/mol
Exact Mass395.06
IUPAC NameN-[(E)-(2-chloro-6-methoxyquinolin-3-yl)methylideneamino]-4-pyridin-4-yl-1,3-thiazol-2-amine
SMILESCOc1ccc2nc(Cl)c(/C=N/Nc3nc(-c4ccncc4)cs3)cc2c1
InChIInChI=1S/C19H14ClN5OS/c1-26-15-2-3-16-13(9-15)8-14(18(20)23-16)10-22-25-19-24-17(11-27-19)12-4-6-21-7-5-12/h2-11H,1H3,(H,24,25)/b22-10+
InChIKeyJVKCECOOPPAJLS-LSHDLFTRSA-N
XLogP4.86
TPSA72.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.88
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', '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

N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 110533887
4-[2-[(2E)-2-[(2,5-dimethoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenol;hydrobromide
CID 172885904
1-(2-chloro-6-methoxyquinolin-3-yl)-N-methylmethanimine;hydrate
CID 166706707
2-bromo-6-methoxy-3-[(Z)-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 110530598
N-[(2-chloro-3-fluoro-4-methoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577930
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 6308548
N-[(5-chloro-2-methoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168578410
4-(3-methoxyphenyl)-N-[(Z)-(2-methoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 110536568
4-[(Z)-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 135754061
N-[(3,5-dimethoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168576843
N-[(3-methoxyphenyl)methylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 3138871
4-(4-chlorophenyl)-N-[(2-methoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 2845165

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-chloro-6-methoxyquinolin-3-yl)methylideneamino]-4-pyridin-4-yl-1,3-thiazol-2-amine?
The IUPAC name of N-[(E)-(2-chloro-6-methoxyquinolin-3-yl)methylideneamino]-4-pyridin-4-yl-1,3-thiazol-2-amine (CID 170903101) is N-[(E)-(2-chloro-6-methoxyquinolin-3-yl)methylideneamino]-4-pyridin-4-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(E)-(2-chloro-6-methoxyquinolin-3-yl)methylideneamino]-4-pyridin-4-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-[(E)-(2-chloro-6-methoxyquinolin-3-yl)methylideneamino]-4-pyridin-4-yl-1,3-thiazol-2-amine is COc1ccc2nc(Cl)c(/C=N/Nc3nc(-c4ccncc4)cs3)cc2c1.
What is the InChIKey of N-[(E)-(2-chloro-6-methoxyquinolin-3-yl)methylideneamino]-4-pyridin-4-yl-1,3-thiazol-2-amine?
The InChIKey is JVKCECOOPPAJLS-LSHDLFTRSA-N. The full InChI is InChI=1S/C19H14ClN5OS/c1-26-15-2-3-16-13(9-15)8-14(18(20)23-16)10-22-25-19-24-17(11-27-19)12-4-6-21-7-5-12/h2-11H,1H3,(H,24,25)/b22-10+.
What are the key properties of N-[(E)-(2-chloro-6-methoxyquinolin-3-yl)methylideneamino]-4-pyridin-4-yl-1,3-thiazol-2-amine?
N-[(E)-(2-chloro-6-methoxyquinolin-3-yl)methylideneamino]-4-pyridin-4-yl-1,3-thiazol-2-amine has a molecular weight of 395.88 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-chloro-6-methoxyquinolin-3-yl)methylideneamino]-4-pyridin-4-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 170903101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).