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

C11H11BrN2S — CID 824460

IUPAC4-(4-bromophenyl)-N,3-dimethyl-1,3-thiazol-2-imine
SMILESC/N=c1\scc(-c2ccc(Br)cc2)n1C
InChIInChI=1S/C11H11BrN2S/c1-13-11-14(2)10(7-15-11)8-3-5-9(12)6-4-8/h3-7H,1-2H3/b13-11-
InChIKeyXRLCNXLCPVYFRA-QBFSEMIESA-N
MW283.19 g/mol
LogP3.05
Rot. Bonds1

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

4-(4-bromophenyl)-N,3-dimethyl-1,3-thiazol-2-imine (PubChem CID 824460) has the molecular formula C11H11BrN2S and a molecular weight of 283.19 g/mol. Its IUPAC name is 4-(4-bromophenyl)-N,3-dimethyl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-(4-bromophenyl)-N,3-dimethyl-1,3-thiazol-2-imine
PubChem CID824460
Molecular FormulaC11H11BrN2S
Molecular Weight283.19 g/mol
Exact Mass281.98
IUPAC Name4-(4-bromophenyl)-N,3-dimethyl-1,3-thiazol-2-imine
SMILESC/N=c1\scc(-c2ccc(Br)cc2)n1C
InChIInChI=1S/C11H11BrN2S/c1-13-11-14(2)10(7-15-11)8-3-5-9(12)6-4-8/h3-7H,1-2H3/b13-11-
InChIKeyXRLCNXLCPVYFRA-QBFSEMIESA-N
XLogP3.05
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.19
LogP ≤ 53.05
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)-N,3-dimethyl-1,3-thiazol-2-imine?
The IUPAC name of 4-(4-bromophenyl)-N,3-dimethyl-1,3-thiazol-2-imine (CID 824460) is 4-(4-bromophenyl)-N,3-dimethyl-1,3-thiazol-2-imine.
What is the SMILES notation for 4-(4-bromophenyl)-N,3-dimethyl-1,3-thiazol-2-imine?
The canonical SMILES for 4-(4-bromophenyl)-N,3-dimethyl-1,3-thiazol-2-imine is C/N=c1\scc(-c2ccc(Br)cc2)n1C.
What is the InChIKey of 4-(4-bromophenyl)-N,3-dimethyl-1,3-thiazol-2-imine?
The InChIKey is XRLCNXLCPVYFRA-QBFSEMIESA-N. The full InChI is InChI=1S/C11H11BrN2S/c1-13-11-14(2)10(7-15-11)8-3-5-9(12)6-4-8/h3-7H,1-2H3/b13-11-.
What are the key properties of 4-(4-bromophenyl)-N,3-dimethyl-1,3-thiazol-2-imine?
4-(4-bromophenyl)-N,3-dimethyl-1,3-thiazol-2-imine has a molecular weight of 283.19 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-N,3-dimethyl-1,3-thiazol-2-imine is sourced from PubChem (CID 824460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).