N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine

C17H13ClFN3S — CID 42336365

IUPACN-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine
SMILESCc1ccc(-c2csc(N/N=C\c3c(F)cccc3Cl)n2)cc1
InChIInChI=1S/C17H13ClFN3S/c1-11-5-7-12(8-6-11)16-10-23-17(21-16)22-20-9-13-14(18)3-2-4-15(13)19/h2-10H,1H3,(H,21,22)/b20-9-
InChIKeyFCEZYMCEAMNQAO-UKWGHVSLSA-N
MW345.83 g/mol
LogP5.36
Rot. Bonds4

About N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine

N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine (PubChem CID 42336365) has the molecular formula C17H13ClFN3S and a molecular weight of 345.83 g/mol. Its IUPAC name is N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine
PubChem CID42336365
Molecular FormulaC17H13ClFN3S
Molecular Weight345.83 g/mol
Exact Mass345.05
IUPAC NameN-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine
SMILESCc1ccc(-c2csc(N/N=C\c3c(F)cccc3Cl)n2)cc1
InChIInChI=1S/C17H13ClFN3S/c1-11-5-7-12(8-6-11)16-10-23-17(21-16)22-20-9-13-14(18)3-2-4-15(13)19/h2-10H,1H3,(H,21,22)/b20-9-
InChIKeyFCEZYMCEAMNQAO-UKWGHVSLSA-N
XLogP5.36
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.83
LogP ≤ 55.36
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

N-[(6-chloro-2,4-difluoro-3-methylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577585
N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 42336469
4-(4-fluorophenyl)-N-[(Z)-(4-methylphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 6004442
N-[(2-chlorophenyl)methylideneamino]-4-(4-fluorophenyl)-1,3-thiazol-2-amine
CID 5230567
N-[(3-chloro-2-fluorophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168576673
4-(4-methylphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine
CID 6308176
methyl 2-[2-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 110537229
4-(4-fluorophenyl)-N-[(Z)-(2-fluorophenyl)methylideneamino]-1,3-thiazol-2-amine
CID 6107922
N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 110533887
N-[(Z)-(1,2-dimethylindol-3-yl)methylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 110535093
N-[(3-chloro-4-fluorophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577116
N-[[2,6-dichloro-3-(trifluoromethyl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577370

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine (CID 42336365) is N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine is Cc1ccc(-c2csc(N/N=C\c3c(F)cccc3Cl)n2)cc1.
What is the InChIKey of N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine?
The InChIKey is FCEZYMCEAMNQAO-UKWGHVSLSA-N. The full InChI is InChI=1S/C17H13ClFN3S/c1-11-5-7-12(8-6-11)16-10-23-17(21-16)22-20-9-13-14(18)3-2-4-15(13)19/h2-10H,1H3,(H,21,22)/b20-9-.
What are the key properties of N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine?
N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine has a molecular weight of 345.83 g/mol, XLogP of 5.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 42336365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).