4-(3-fluorophenyl)-N-[(E)-(9-methylcarbazol-3-yl)methylideneamino]-1,3-thiazol-2-amine

C23H17FN4S — CID 155539204

IUPAC4-(3-fluorophenyl)-N-[(E)-(9-methylcarbazol-3-yl)methylideneamino]-1,3-thiazol-2-amine
SMILESCn1c2ccccc2c2cc(/C=N/Nc3nc(-c4cccc(F)c4)cs3)ccc21
InChIInChI=1S/C23H17FN4S/c1-28-21-8-3-2-7-18(21)19-11-15(9-10-22(19)28)13-25-27-23-26-20(14-29-23)16-5-4-6-17(24)12-16/h2-14H,1H3,(H,26,27)/b25-13+
InChIKeyANZYHMUBCBXCEF-DHRITJCHSA-N
MW400.48 g/mol
LogP6.04
Rot. Bonds4

About 4-(3-fluorophenyl)-N-[(E)-(9-methylcarbazol-3-yl)methylideneamino]-1,3-thiazol-2-amine

4-(3-fluorophenyl)-N-[(E)-(9-methylcarbazol-3-yl)methylideneamino]-1,3-thiazol-2-amine (PubChem CID 155539204) has the molecular formula C23H17FN4S and a molecular weight of 400.48 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-N-[(E)-(9-methylcarbazol-3-yl)methylideneamino]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(3-fluorophenyl)-N-[(E)-(9-methylcarbazol-3-yl)methylideneamino]-1,3-thiazol-2-amine
PubChem CID155539204
Molecular FormulaC23H17FN4S
Molecular Weight400.48 g/mol
Exact Mass400.12
IUPAC Name4-(3-fluorophenyl)-N-[(E)-(9-methylcarbazol-3-yl)methylideneamino]-1,3-thiazol-2-amine
SMILESCn1c2ccccc2c2cc(/C=N/Nc3nc(-c4cccc(F)c4)cs3)ccc21
InChIInChI=1S/C23H17FN4S/c1-28-21-8-3-2-7-18(21)19-11-15(9-10-22(19)28)13-25-27-23-26-20(14-29-23)16-5-4-6-17(24)12-16/h2-14H,1H3,(H,26,27)/b25-13+
InChIKeyANZYHMUBCBXCEF-DHRITJCHSA-N
XLogP6.04
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.48
LogP ≤ 56.04
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

3-[2-[2-[(3-fluorophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenol
CID 4874212
4-(3-bromophenyl)-N-[(E)-(9-methylpyrido[3,4-b]indol-3-yl)methylideneamino]-1,3-thiazol-2-amine
CID 171483743
N-[(E)-(4-fluorophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine;hydrobromide
CID 44789214
N-[(E)-(1-methylindol-3-yl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 74220639
4-(4-bromophenyl)-N-[(3-fluorophenyl)methylideneamino]-1,3-thiazol-2-amine
CID 2787633
N-[(3-methylbenzimidazol-5-yl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168579299
N-[(3-fluoro-5-methylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577384
N-[(3-methylsulfanylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577310
N-[(3-chloro-4-fluorophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577116
[2-fluoro-4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]methanol
CID 168577581
4-(3-methoxyphenyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 110536570
N-[(4-fluoro-3-phenoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168578727

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-N-[(E)-(9-methylcarbazol-3-yl)methylideneamino]-1,3-thiazol-2-amine?
The IUPAC name of 4-(3-fluorophenyl)-N-[(E)-(9-methylcarbazol-3-yl)methylideneamino]-1,3-thiazol-2-amine (CID 155539204) is 4-(3-fluorophenyl)-N-[(E)-(9-methylcarbazol-3-yl)methylideneamino]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(3-fluorophenyl)-N-[(E)-(9-methylcarbazol-3-yl)methylideneamino]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(3-fluorophenyl)-N-[(E)-(9-methylcarbazol-3-yl)methylideneamino]-1,3-thiazol-2-amine is Cn1c2ccccc2c2cc(/C=N/Nc3nc(-c4cccc(F)c4)cs3)ccc21.
What is the InChIKey of 4-(3-fluorophenyl)-N-[(E)-(9-methylcarbazol-3-yl)methylideneamino]-1,3-thiazol-2-amine?
The InChIKey is ANZYHMUBCBXCEF-DHRITJCHSA-N. The full InChI is InChI=1S/C23H17FN4S/c1-28-21-8-3-2-7-18(21)19-11-15(9-10-22(19)28)13-25-27-23-26-20(14-29-23)16-5-4-6-17(24)12-16/h2-14H,1H3,(H,26,27)/b25-13+.
What are the key properties of 4-(3-fluorophenyl)-N-[(E)-(9-methylcarbazol-3-yl)methylideneamino]-1,3-thiazol-2-amine?
4-(3-fluorophenyl)-N-[(E)-(9-methylcarbazol-3-yl)methylideneamino]-1,3-thiazol-2-amine has a molecular weight of 400.48 g/mol, XLogP of 6.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-N-[(E)-(9-methylcarbazol-3-yl)methylideneamino]-1,3-thiazol-2-amine is sourced from PubChem (CID 155539204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).