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

C17H15BrN2OS — CID 1371436

IUPAC4-(4-bromophenyl)-N-(3-methoxyphenyl)-3-methyl-1,3-thiazol-2-imine
SMILESCOc1cccc(/N=c2\scc(-c3ccc(Br)cc3)n2C)c1
InChIInChI=1S/C17H15BrN2OS/c1-20-16(12-6-8-13(18)9-7-12)11-22-17(20)19-14-4-3-5-15(10-14)21-2/h3-11H,1-2H3/b19-17-
InChIKeyHDAXEWVUEVJROP-ZPHPHTNESA-N
MW375.29 g/mol
LogP4.76
Rot. Bonds3

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

4-(4-bromophenyl)-N-(3-methoxyphenyl)-3-methyl-1,3-thiazol-2-imine (PubChem CID 1371436) has the molecular formula C17H15BrN2OS and a molecular weight of 375.29 g/mol. Its IUPAC name is 4-(4-bromophenyl)-N-(3-methoxyphenyl)-3-methyl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-(4-bromophenyl)-N-(3-methoxyphenyl)-3-methyl-1,3-thiazol-2-imine
PubChem CID1371436
Molecular FormulaC17H15BrN2OS
Molecular Weight375.29 g/mol
Exact Mass374.01
IUPAC Name4-(4-bromophenyl)-N-(3-methoxyphenyl)-3-methyl-1,3-thiazol-2-imine
SMILESCOc1cccc(/N=c2\scc(-c3ccc(Br)cc3)n2C)c1
InChIInChI=1S/C17H15BrN2OS/c1-20-16(12-6-8-13(18)9-7-12)11-22-17(20)19-14-4-3-5-15(10-14)21-2/h3-11H,1-2H3/b19-17-
InChIKeyHDAXEWVUEVJROP-ZPHPHTNESA-N
XLogP4.76
TPSA26.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.29
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(4-bromophenyl)-N-(4-fluorophenyl)-3-methyl-1,3-thiazol-2-imine;hydrobromide
CID 2886991
[4-(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]hydrazine
CID 69115337
N,4-bis(4-fluorophenyl)-3-methyl-1,3-thiazol-2-imine
CID 142106070
4-(4-bromophenyl)-N-(3-methylphenyl)-3-(4-methylpiperazin-1-yl)-1,3-thiazol-2-imine;hydrobromide
CID 20994476
4-(4-bromophenyl)-3-[(4-methoxyphenyl)methyl]-N-pyridin-3-yl-1,3-thiazol-2-imine
CID 23737102
4-(4-bromophenyl)-N-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-imine
CID 3970172
3-butyl-N-(3-methoxyphenyl)-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23735643
(Z)-4-(3-bromophenyl)-3-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-N-(3-methoxyphenyl)-1,3-thiazol-2-imine
CID 6056191
3-butan-2-yl-N-(3-methoxyphenyl)-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23993153
4-(3-methoxyphenyl)-N-(3-methylphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine
CID 138392716
(E)-3-[(E)-(2-ethoxyphenyl)methylideneamino]-4-(4-ethylphenyl)-N-(3-methoxyphenyl)-1,3-thiazol-2-imine
CID 6903102
N-(3-methoxyphenyl)-3-[(5-methylthiophen-2-yl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23857374

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-N-(3-methoxyphenyl)-3-methyl-1,3-thiazol-2-imine?
The IUPAC name of 4-(4-bromophenyl)-N-(3-methoxyphenyl)-3-methyl-1,3-thiazol-2-imine (CID 1371436) is 4-(4-bromophenyl)-N-(3-methoxyphenyl)-3-methyl-1,3-thiazol-2-imine.
What is the SMILES notation for 4-(4-bromophenyl)-N-(3-methoxyphenyl)-3-methyl-1,3-thiazol-2-imine?
The canonical SMILES for 4-(4-bromophenyl)-N-(3-methoxyphenyl)-3-methyl-1,3-thiazol-2-imine is COc1cccc(/N=c2\scc(-c3ccc(Br)cc3)n2C)c1.
What is the InChIKey of 4-(4-bromophenyl)-N-(3-methoxyphenyl)-3-methyl-1,3-thiazol-2-imine?
The InChIKey is HDAXEWVUEVJROP-ZPHPHTNESA-N. The full InChI is InChI=1S/C17H15BrN2OS/c1-20-16(12-6-8-13(18)9-7-12)11-22-17(20)19-14-4-3-5-15(10-14)21-2/h3-11H,1-2H3/b19-17-.
What are the key properties of 4-(4-bromophenyl)-N-(3-methoxyphenyl)-3-methyl-1,3-thiazol-2-imine?
4-(4-bromophenyl)-N-(3-methoxyphenyl)-3-methyl-1,3-thiazol-2-imine has a molecular weight of 375.29 g/mol, XLogP of 4.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-N-(3-methoxyphenyl)-3-methyl-1,3-thiazol-2-imine is sourced from PubChem (CID 1371436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).