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

C14H10BrN3OS — CID 5335282

IUPAC4-(4-bromophenyl)-N-[(E)-furan-2-ylmethylideneamino]-1,3-thiazol-2-amine
SMILESBrc1ccc(-c2csc(N/N=C/c3ccco3)n2)cc1
InChIInChI=1S/C14H10BrN3OS/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)/b16-8+
InChIKeyKECGDNDIPWAYCW-LZYBPNLTSA-N
MW348.23 g/mol
LogP4.61
Rot. Bonds4

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

4-(4-bromophenyl)-N-[(E)-furan-2-ylmethylideneamino]-1,3-thiazol-2-amine (PubChem CID 5335282) has the molecular formula C14H10BrN3OS and a molecular weight of 348.23 g/mol. Its IUPAC name is 4-(4-bromophenyl)-N-[(E)-furan-2-ylmethylideneamino]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-bromophenyl)-N-[(E)-furan-2-ylmethylideneamino]-1,3-thiazol-2-amine
PubChem CID5335282
Molecular FormulaC14H10BrN3OS
Molecular Weight348.23 g/mol
Exact Mass346.97
IUPAC Name4-(4-bromophenyl)-N-[(E)-furan-2-ylmethylideneamino]-1,3-thiazol-2-amine
SMILESBrc1ccc(-c2csc(N/N=C/c3ccco3)n2)cc1
InChIInChI=1S/C14H10BrN3OS/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)/b16-8+
InChIKeyKECGDNDIPWAYCW-LZYBPNLTSA-N
XLogP4.61
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.23
LogP ≤ 54.61
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-(4-chlorophenyl)-N-[(E)-furan-2-ylmethylideneamino]-1,3-thiazol-2-amine
CID 6865805
N-[(E)-furan-2-ylmethylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 5333452
N'-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-furohydrazide
CID 1037907
4-{(2E)-2-[(2E)-(furan-2-ylmethylidene)hydrazinylidene]-2,3-dihydro-1,3-thiazol-4-yl}-N,N-dimethylbenzenesulfonamide
CID 9607375
4-(4-fluorophenyl)-N-[(Z)-furan-2-ylmethylideneamino]-1,3-thiazol-2-amine
CID 5391301
2-Furaldehyde [4-(4-methylphenyl)-1,3-thiazol-2-yl]hydrazone
CID 9585859
N-[4-(2,4-Dimethyl-phenyl)-thiazol-2-yl]-N'-furan-2-ylmethylene-hydrazine
CID 9594701
N-[(E)-furan-2-ylmethylideneamino]-4-(3-methoxyphenyl)-1,3-thiazol-2-amine
CID 49863639
N-[(E)-1-(furan-2-yl)ethylideneamino]-4-(3-methoxyphenyl)-1,3-thiazol-2-amine
CID 49863640
4-(4-fluorophenyl)-N-[(Z)-1-(furan-2-yl)ethylideneamino]-1,3-thiazol-2-amine
CID 71449400
4-(2,4-difluorophenyl)-N-[(Z)-1-(furan-2-yl)ethylideneamino]-1,3-thiazol-2-amine
CID 71453026
4-(2,4-difluorophenyl)-N-[(Z)-furan-2-ylmethylideneamino]-1,3-thiazol-2-amine
CID 71460224

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-N-[(E)-furan-2-ylmethylideneamino]-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-bromophenyl)-N-[(E)-furan-2-ylmethylideneamino]-1,3-thiazol-2-amine (CID 5335282) is 4-(4-bromophenyl)-N-[(E)-furan-2-ylmethylideneamino]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-bromophenyl)-N-[(E)-furan-2-ylmethylideneamino]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-bromophenyl)-N-[(E)-furan-2-ylmethylideneamino]-1,3-thiazol-2-amine is Brc1ccc(-c2csc(N/N=C/c3ccco3)n2)cc1.
What is the InChIKey of 4-(4-bromophenyl)-N-[(E)-furan-2-ylmethylideneamino]-1,3-thiazol-2-amine?
The InChIKey is KECGDNDIPWAYCW-LZYBPNLTSA-N. The full InChI is InChI=1S/C14H10BrN3OS/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)/b16-8+.
What are the key properties of 4-(4-bromophenyl)-N-[(E)-furan-2-ylmethylideneamino]-1,3-thiazol-2-amine?
4-(4-bromophenyl)-N-[(E)-furan-2-ylmethylideneamino]-1,3-thiazol-2-amine has a molecular weight of 348.23 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-N-[(E)-furan-2-ylmethylideneamino]-1,3-thiazol-2-amine is sourced from PubChem (CID 5335282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).