4-(4-fluorophenyl)-N-[(E)-furan-2-ylmethylideneamino]-1,3-thiazol-2-amine;hydrobromide

C14H11BrFN3OS — CID 18552758

IUPAC4-(4-fluorophenyl)-N-[(E)-furan-2-ylmethylideneamino]-1,3-thiazol-2-amine;hydrobromide
SMILESBr.Fc1ccc(-c2csc(N/N=C/c3ccco3)n2)cc1
InChIInChI=1S/C14H10FN3OS.BrH/c15-11-5-3-10(4-6-11)13-9-20-14(17-13)18-16-8-12-2-1-7-19-12;/h1-9H,(H,17,18);1H/b16-8+;
InChIKeyZWIGCRWWFWIILI-OHGISNTKSA-N
MW368.23 g/mol
LogP4.57
Rot. Bonds4

About 4-(4-fluorophenyl)-N-[(E)-furan-2-ylmethylideneamino]-1,3-thiazol-2-amine;hydrobromide

4-(4-fluorophenyl)-N-[(E)-furan-2-ylmethylideneamino]-1,3-thiazol-2-amine;hydrobromide (PubChem CID 18552758) has the molecular formula C14H11BrFN3OS and a molecular weight of 368.23 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-[(E)-furan-2-ylmethylideneamino]-1,3-thiazol-2-amine;hydrobromide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-[(E)-furan-2-ylmethylideneamino]-1,3-thiazol-2-amine;hydrobromide
PubChem CID18552758
Molecular FormulaC14H11BrFN3OS
Molecular Weight368.23 g/mol
Exact Mass366.98
IUPAC Name4-(4-fluorophenyl)-N-[(E)-furan-2-ylmethylideneamino]-1,3-thiazol-2-amine;hydrobromide
SMILESBr.Fc1ccc(-c2csc(N/N=C/c3ccco3)n2)cc1
InChIInChI=1S/C14H10FN3OS.BrH/c15-11-5-3-10(4-6-11)13-9-20-14(17-13)18-16-8-12-2-1-7-19-12;/h1-9H,(H,17,18);1H/b16-8+;
InChIKeyZWIGCRWWFWIILI-OHGISNTKSA-N
XLogP4.57
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.23
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_furan_A(6)', '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

4-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile
CID 71540243
N-[(E)-(4-fluorophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine;hydrobromide
CID 44789214
N-[(Z)-furan-2-ylmethylideneamino]-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine
CID 6276688
4-(4-fluorophenyl)-N-[(Z)-(2-fluorophenyl)methylideneamino]-1,3-thiazol-2-amine
CID 6107922
N-[(Z)-furan-2-ylmethylideneamino]-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine
CID 6276687
4-(4-fluorophenyl)-N-[(Z)-(4-methylphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 6004442
N-[(E)-furan-2-ylmethylideneamino]-4-(3-nitrophenyl)-1,3-thiazol-2-amine
CID 110337035
N-[(2-chlorophenyl)methylideneamino]-4-(4-fluorophenyl)-1,3-thiazol-2-amine
CID 5230567
4-(4-fluorophenyl)-N-[(Z)-(2-methylphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 42459700
4-bromo-2-[(Z)-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 137122821
N-[(4-fluorophenyl)methylideneamino]-4-(4-nitrophenyl)-1,3-thiazol-2-amine
CID 5182877
N,4-bis(4-fluorophenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2840600

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-[(E)-furan-2-ylmethylideneamino]-1,3-thiazol-2-amine;hydrobromide?
The IUPAC name of 4-(4-fluorophenyl)-N-[(E)-furan-2-ylmethylideneamino]-1,3-thiazol-2-amine;hydrobromide (CID 18552758) is 4-(4-fluorophenyl)-N-[(E)-furan-2-ylmethylideneamino]-1,3-thiazol-2-amine;hydrobromide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-[(E)-furan-2-ylmethylideneamino]-1,3-thiazol-2-amine;hydrobromide?
The canonical SMILES for 4-(4-fluorophenyl)-N-[(E)-furan-2-ylmethylideneamino]-1,3-thiazol-2-amine;hydrobromide is Br.Fc1ccc(-c2csc(N/N=C/c3ccco3)n2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-N-[(E)-furan-2-ylmethylideneamino]-1,3-thiazol-2-amine;hydrobromide?
The InChIKey is ZWIGCRWWFWIILI-OHGISNTKSA-N. The full InChI is InChI=1S/C14H10FN3OS.BrH/c15-11-5-3-10(4-6-11)13-9-20-14(17-13)18-16-8-12-2-1-7-19-12;/h1-9H,(H,17,18);1H/b16-8+;.
What are the key properties of 4-(4-fluorophenyl)-N-[(E)-furan-2-ylmethylideneamino]-1,3-thiazol-2-amine;hydrobromide?
4-(4-fluorophenyl)-N-[(E)-furan-2-ylmethylideneamino]-1,3-thiazol-2-amine;hydrobromide has a molecular weight of 368.23 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-[(E)-furan-2-ylmethylideneamino]-1,3-thiazol-2-amine;hydrobromide is sourced from PubChem (CID 18552758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).