4-(4-chlorophenyl)-N-[(2-methoxyphenyl)methylideneamino]-1,3-thiazol-2-amine

C17H14ClN3OS — CID 2845165

IUPAC4-(4-chlorophenyl)-N-[(2-methoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
SMILESCOc1ccccc1C=NNc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C17H14ClN3OS/c1-22-16-5-3-2-4-13(16)10-19-21-17-20-15(11-23-17)12-6-8-14(18)9-7-12/h2-11H,1H3,(H,20,21)
InChIKeySNWKQVWZVWBZMM-UHFFFAOYSA-N
MW343.84 g/mol
LogP4.92
Rot. Bonds5

About 4-(4-chlorophenyl)-N-[(2-methoxyphenyl)methylideneamino]-1,3-thiazol-2-amine

4-(4-chlorophenyl)-N-[(2-methoxyphenyl)methylideneamino]-1,3-thiazol-2-amine (PubChem CID 2845165) has the molecular formula C17H14ClN3OS and a molecular weight of 343.84 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-[(2-methoxyphenyl)methylideneamino]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-[(2-methoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
PubChem CID2845165
Molecular FormulaC17H14ClN3OS
Molecular Weight343.84 g/mol
Exact Mass343.05
IUPAC Name4-(4-chlorophenyl)-N-[(2-methoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
SMILESCOc1ccccc1C=NNc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C17H14ClN3OS/c1-22-16-5-3-2-4-13(16)10-19-21-17-20-15(11-23-17)12-6-8-14(18)9-7-12/h2-11H,1H3,(H,20,21)
InChIKeySNWKQVWZVWBZMM-UHFFFAOYSA-N
XLogP4.92
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.84
LogP ≤ 54.92
H-Bond Donors ≤ 51
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'}

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Related Compounds

N-[(5-chloro-2-methoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168578410
4-(2,4-dichlorophenyl)-N-[(2-methoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 3138865
4-(2-methoxyphenyl)-N-[(Z)-(2-methoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 110536567
4-(4-chlorophenyl)-N-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 73385550
4-(3-methoxyphenyl)-N-[(Z)-(2-methoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 110536568
4-(4-chlorophenyl)-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 5450131
4-[(Z)-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]-2,6-dimethoxyphenol
CID 136781775
4-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine;hydrobromide
CID 73450398
N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 110533887
N-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]-4-(4-chlorophenyl)-1,3-thiazol-2-amine
CID 110531994
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-amine
CID 110532002
N-[(2-chloro-3-fluoro-4-methoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577930

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-[(2-methoxyphenyl)methylideneamino]-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-chlorophenyl)-N-[(2-methoxyphenyl)methylideneamino]-1,3-thiazol-2-amine (CID 2845165) is 4-(4-chlorophenyl)-N-[(2-methoxyphenyl)methylideneamino]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-N-[(2-methoxyphenyl)methylideneamino]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-chlorophenyl)-N-[(2-methoxyphenyl)methylideneamino]-1,3-thiazol-2-amine is COc1ccccc1C=NNc1nc(-c2ccc(Cl)cc2)cs1.
What is the InChIKey of 4-(4-chlorophenyl)-N-[(2-methoxyphenyl)methylideneamino]-1,3-thiazol-2-amine?
The InChIKey is SNWKQVWZVWBZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3OS/c1-22-16-5-3-2-4-13(16)10-19-21-17-20-15(11-23-17)12-6-8-14(18)9-7-12/h2-11H,1H3,(H,20,21).
What are the key properties of 4-(4-chlorophenyl)-N-[(2-methoxyphenyl)methylideneamino]-1,3-thiazol-2-amine?
4-(4-chlorophenyl)-N-[(2-methoxyphenyl)methylideneamino]-1,3-thiazol-2-amine has a molecular weight of 343.84 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-[(2-methoxyphenyl)methylideneamino]-1,3-thiazol-2-amine is sourced from PubChem (CID 2845165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).