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

C19H16BrN3S — CID 23903215

IUPAC4-(3-bromophenyl)-3-(2,3-dihydroinden-1-ylideneamino)-N-methyl-1,3-thiazol-2-imine
SMILESC/N=c1\scc(-c2cccc(Br)c2)n1N=C1CCc2ccccc21
InChIInChI=1S/C19H16BrN3S/c1-21-19-23(18(12-24-19)14-6-4-7-15(20)11-14)22-17-10-9-13-5-2-3-8-16(13)17/h2-8,11-12H,9-10H2,1H3/b21-19-,22-17?
InChIKeyOBTDQPDKKLUOPN-AFGRJXEYSA-N
MW398.33 g/mol
LogP4.71
Rot. Bonds2

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

4-(3-bromophenyl)-3-(2,3-dihydroinden-1-ylideneamino)-N-methyl-1,3-thiazol-2-imine (PubChem CID 23903215) has the molecular formula C19H16BrN3S and a molecular weight of 398.33 g/mol. Its IUPAC name is 4-(3-bromophenyl)-3-(2,3-dihydroinden-1-ylideneamino)-N-methyl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-(3-bromophenyl)-3-(2,3-dihydroinden-1-ylideneamino)-N-methyl-1,3-thiazol-2-imine
PubChem CID23903215
Molecular FormulaC19H16BrN3S
Molecular Weight398.33 g/mol
Exact Mass397.02
IUPAC Name4-(3-bromophenyl)-3-(2,3-dihydroinden-1-ylideneamino)-N-methyl-1,3-thiazol-2-imine
SMILESC/N=c1\scc(-c2cccc(Br)c2)n1N=C1CCc2ccccc21
InChIInChI=1S/C19H16BrN3S/c1-21-19-23(18(12-24-19)14-6-4-7-15(20)11-14)22-17-10-9-13-5-2-3-8-16(13)17/h2-8,11-12H,9-10H2,1H3/b21-19-,22-17?
InChIKeyOBTDQPDKKLUOPN-AFGRJXEYSA-N
XLogP4.71
TPSA29.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.33
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-N-methyl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine
CID 23796469
3-(2,3-dihydroinden-1-ylideneamino)-4-(3-nitrophenyl)-N-propan-2-yl-1,3-thiazol-2-imine
CID 23877338
3-(2,3-dihydroinden-1-ylideneamino)-N-propan-2-yl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine
CID 23828020
3-(2,3-dihydroinden-1-ylideneamino)-N-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23884932
4-(3-bromophenyl)-3-[(2-fluorophenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine
CID 2339862
3-[(E)-[4-(3-bromophenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]benzene-1,2-diol
CID 135691194
3-(2,3-dihydroinden-1-ylideneamino)-N-ethyl-4-(2-methoxyphenyl)-1,3-thiazol-2-imine
CID 23827708
2-bromo-4-[(E)-[4-(3-bromophenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]-6-methoxyphenol
CID 135606211
6-[3-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-(2-methylprop-2-enylimino)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one
CID 23877252
4-(3-bromophenyl)-N-phenyl-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine
CID 2455204
(Z)-4-(2-fluorophenyl)-N-(2-methylprop-2-enyl)-3-[(Z)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]-1,3-thiazol-2-imine
CID 6088460
3-(benzylideneamino)-4-(4-bromophenyl)-N-methyl-1,3-thiazol-2-imine
CID 2383546

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-3-(2,3-dihydroinden-1-ylideneamino)-N-methyl-1,3-thiazol-2-imine?
The IUPAC name of 4-(3-bromophenyl)-3-(2,3-dihydroinden-1-ylideneamino)-N-methyl-1,3-thiazol-2-imine (CID 23903215) is 4-(3-bromophenyl)-3-(2,3-dihydroinden-1-ylideneamino)-N-methyl-1,3-thiazol-2-imine.
What is the SMILES notation for 4-(3-bromophenyl)-3-(2,3-dihydroinden-1-ylideneamino)-N-methyl-1,3-thiazol-2-imine?
The canonical SMILES for 4-(3-bromophenyl)-3-(2,3-dihydroinden-1-ylideneamino)-N-methyl-1,3-thiazol-2-imine is C/N=c1\scc(-c2cccc(Br)c2)n1N=C1CCc2ccccc21.
What is the InChIKey of 4-(3-bromophenyl)-3-(2,3-dihydroinden-1-ylideneamino)-N-methyl-1,3-thiazol-2-imine?
The InChIKey is OBTDQPDKKLUOPN-AFGRJXEYSA-N. The full InChI is InChI=1S/C19H16BrN3S/c1-21-19-23(18(12-24-19)14-6-4-7-15(20)11-14)22-17-10-9-13-5-2-3-8-16(13)17/h2-8,11-12H,9-10H2,1H3/b21-19-,22-17?.
What are the key properties of 4-(3-bromophenyl)-3-(2,3-dihydroinden-1-ylideneamino)-N-methyl-1,3-thiazol-2-imine?
4-(3-bromophenyl)-3-(2,3-dihydroinden-1-ylideneamino)-N-methyl-1,3-thiazol-2-imine has a molecular weight of 398.33 g/mol, XLogP of 4.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-3-(2,3-dihydroinden-1-ylideneamino)-N-methyl-1,3-thiazol-2-imine is sourced from PubChem (CID 23903215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).