4-(4-bromophenyl)-3-cyclopropyl-N-phenyl-1,3-thiazol-2-imine

C18H15BrN2S — CID 135032457

IUPAC4-(4-bromophenyl)-3-cyclopropyl-N-phenyl-1,3-thiazol-2-imine
SMILESBrc1ccc(-c2cs/c(=N\c3ccccc3)n2C2CC2)cc1
InChIInChI=1S/C18H15BrN2S/c19-14-8-6-13(7-9-14)17-12-22-18(21(17)16-10-11-16)20-15-4-2-1-3-5-15/h1-9,12,16H,10-11H2/b20-18-
InChIKeyXHVIOGBCBBNFIF-ZZEZOPTASA-N
MW371.30 g/mol
LogP5.55
Rot. Bonds3

About 4-(4-bromophenyl)-3-cyclopropyl-N-phenyl-1,3-thiazol-2-imine

4-(4-bromophenyl)-3-cyclopropyl-N-phenyl-1,3-thiazol-2-imine (PubChem CID 135032457) has the molecular formula C18H15BrN2S and a molecular weight of 371.30 g/mol. Its IUPAC name is 4-(4-bromophenyl)-3-cyclopropyl-N-phenyl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-(4-bromophenyl)-3-cyclopropyl-N-phenyl-1,3-thiazol-2-imine
PubChem CID135032457
Molecular FormulaC18H15BrN2S
Molecular Weight371.30 g/mol
Exact Mass370.01
IUPAC Name4-(4-bromophenyl)-3-cyclopropyl-N-phenyl-1,3-thiazol-2-imine
SMILESBrc1ccc(-c2cs/c(=N\c3ccccc3)n2C2CC2)cc1
InChIInChI=1S/C18H15BrN2S/c19-14-8-6-13(7-9-14)17-12-22-18(21(17)16-10-11-16)20-15-4-2-1-3-5-15/h1-9,12,16H,10-11H2/b20-18-
InChIKeyXHVIOGBCBBNFIF-ZZEZOPTASA-N
XLogP5.55
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.30
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-3-cyclopropyl-N-phenyl-1,3-thiazol-2-imine?
The IUPAC name of 4-(4-bromophenyl)-3-cyclopropyl-N-phenyl-1,3-thiazol-2-imine (CID 135032457) is 4-(4-bromophenyl)-3-cyclopropyl-N-phenyl-1,3-thiazol-2-imine.
What is the SMILES notation for 4-(4-bromophenyl)-3-cyclopropyl-N-phenyl-1,3-thiazol-2-imine?
The canonical SMILES for 4-(4-bromophenyl)-3-cyclopropyl-N-phenyl-1,3-thiazol-2-imine is Brc1ccc(-c2cs/c(=N\c3ccccc3)n2C2CC2)cc1.
What is the InChIKey of 4-(4-bromophenyl)-3-cyclopropyl-N-phenyl-1,3-thiazol-2-imine?
The InChIKey is XHVIOGBCBBNFIF-ZZEZOPTASA-N. The full InChI is InChI=1S/C18H15BrN2S/c19-14-8-6-13(7-9-14)17-12-22-18(21(17)16-10-11-16)20-15-4-2-1-3-5-15/h1-9,12,16H,10-11H2/b20-18-.
What are the key properties of 4-(4-bromophenyl)-3-cyclopropyl-N-phenyl-1,3-thiazol-2-imine?
4-(4-bromophenyl)-3-cyclopropyl-N-phenyl-1,3-thiazol-2-imine has a molecular weight of 371.30 g/mol, XLogP of 5.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-3-cyclopropyl-N-phenyl-1,3-thiazol-2-imine is sourced from PubChem (CID 135032457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).