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

C17H14FN3S — CID 6004442

IUPAC4-(4-fluorophenyl)-N-[(Z)-(4-methylphenyl)methylideneamino]-1,3-thiazol-2-amine
SMILESCc1ccc(/C=N\Nc2nc(-c3ccc(F)cc3)cs2)cc1
InChIInChI=1S/C17H14FN3S/c1-12-2-4-13(5-3-12)10-19-21-17-20-16(11-22-17)14-6-8-15(18)9-7-14/h2-11H,1H3,(H,20,21)/b19-10-
InChIKeyYFTCPKKNPDNBQQ-GRSHGNNSSA-N
MW311.39 g/mol
LogP4.70
Rot. Bonds4

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

4-(4-fluorophenyl)-N-[(Z)-(4-methylphenyl)methylideneamino]-1,3-thiazol-2-amine (PubChem CID 6004442) has the molecular formula C17H14FN3S and a molecular weight of 311.39 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-[(Z)-(4-methylphenyl)methylideneamino]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-[(Z)-(4-methylphenyl)methylideneamino]-1,3-thiazol-2-amine
PubChem CID6004442
Molecular FormulaC17H14FN3S
Molecular Weight311.39 g/mol
Exact Mass311.09
IUPAC Name4-(4-fluorophenyl)-N-[(Z)-(4-methylphenyl)methylideneamino]-1,3-thiazol-2-amine
SMILESCc1ccc(/C=N\Nc2nc(-c3ccc(F)cc3)cs2)cc1
InChIInChI=1S/C17H14FN3S/c1-12-2-4-13(5-3-12)10-19-21-17-20-16(11-22-17)14-6-8-15(18)9-7-14/h2-11H,1H3,(H,20,21)/b19-10-
InChIKeyYFTCPKKNPDNBQQ-GRSHGNNSSA-N
XLogP4.70
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
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

N-[(E)-(4-fluorophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine;hydrobromide
CID 44789214
N-[(4-fluorophenyl)methylideneamino]-4-(4-nitrophenyl)-1,3-thiazol-2-amine
CID 5182877
4-(2,4-dimethylphenyl)-N-[(E)-(4-fluorophenyl)methylideneamino]-1,3-thiazol-2-amine bromide
CID 21203586
N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 42336469
4-(4-fluorophenyl)-N-[(Z)-(2-methylphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 42459700
N-[(3-fluoro-5-methylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577384
4-(4-fluorophenyl)-N-[(Z)-(2-fluorophenyl)methylideneamino]-1,3-thiazol-2-amine
CID 6107922
4-(3-methoxyphenyl)-N-[(Z)-(4-methylphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 110537463
N-[[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 3136869
4-(4-methylphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine
CID 6308176
N-(4-fluorophenyl)-4-(4-methylphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2840281
N-[(2-chlorophenyl)methylideneamino]-4-(4-fluorophenyl)-1,3-thiazol-2-amine
CID 5230567

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-[(Z)-(4-methylphenyl)methylideneamino]-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-fluorophenyl)-N-[(Z)-(4-methylphenyl)methylideneamino]-1,3-thiazol-2-amine (CID 6004442) is 4-(4-fluorophenyl)-N-[(Z)-(4-methylphenyl)methylideneamino]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-fluorophenyl)-N-[(Z)-(4-methylphenyl)methylideneamino]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-fluorophenyl)-N-[(Z)-(4-methylphenyl)methylideneamino]-1,3-thiazol-2-amine is Cc1ccc(/C=N\Nc2nc(-c3ccc(F)cc3)cs2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-N-[(Z)-(4-methylphenyl)methylideneamino]-1,3-thiazol-2-amine?
The InChIKey is YFTCPKKNPDNBQQ-GRSHGNNSSA-N. The full InChI is InChI=1S/C17H14FN3S/c1-12-2-4-13(5-3-12)10-19-21-17-20-16(11-22-17)14-6-8-15(18)9-7-14/h2-11H,1H3,(H,20,21)/b19-10-.
What are the key properties of 4-(4-fluorophenyl)-N-[(Z)-(4-methylphenyl)methylideneamino]-1,3-thiazol-2-amine?
4-(4-fluorophenyl)-N-[(Z)-(4-methylphenyl)methylideneamino]-1,3-thiazol-2-amine has a molecular weight of 311.39 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-[(Z)-(4-methylphenyl)methylideneamino]-1,3-thiazol-2-amine is sourced from PubChem (CID 6004442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).