N,4-bis(4-methoxyphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine;hydrobromide

C23H28BrN3O3S — CID 16806071

IUPACN,4-bis(4-methoxyphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine;hydrobromide
SMILESBr.COc1ccc(/N=c2\scc(-c3ccc(OC)cc3)n2CCN2CCOCC2)cc1
InChIInChI=1S/C23H27N3O3S.BrH/c1-27-20-7-3-18(4-8-20)22-17-30-23(24-19-5-9-21(28-2)10-6-19)26(22)12-11-25-13-15-29-16-14-25;/h3-10,17H,11-16H2,1-2H3;1H/b24-23-;
InChIKeyWKIVLLYEKMQFPX-DCXSSQDFSA-N
MW506.47 g/mol
LogP4.38
Rot. Bonds7

About N,4-bis(4-methoxyphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine;hydrobromide

N,4-bis(4-methoxyphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine;hydrobromide (PubChem CID 16806071) has the molecular formula C23H28BrN3O3S and a molecular weight of 506.47 g/mol. Its IUPAC name is N,4-bis(4-methoxyphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine;hydrobromide.

Molecular Properties

Compound NameN,4-bis(4-methoxyphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine;hydrobromide
PubChem CID16806071
Molecular FormulaC23H28BrN3O3S
Molecular Weight506.47 g/mol
Exact Mass505.10
IUPAC NameN,4-bis(4-methoxyphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine;hydrobromide
SMILESBr.COc1ccc(/N=c2\scc(-c3ccc(OC)cc3)n2CCN2CCOCC2)cc1
InChIInChI=1S/C23H27N3O3S.BrH/c1-27-20-7-3-18(4-8-20)22-17-30-23(24-19-5-9-21(28-2)10-6-19)26(22)12-11-25-13-15-29-16-14-25;/h3-10,17H,11-16H2,1-2H3;1H/b24-23-;
InChIKeyWKIVLLYEKMQFPX-DCXSSQDFSA-N
XLogP4.38
TPSA48.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.47
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

6-(4-(4-(4-(2-Methoxyphenyl)piperazin-1-yl)butoxy)phenyl)-5,6-dihydroimidazo[2,1-b]thiazole
CID 44589376
2-[(2Z)-4-(3-fluoro-4-methoxyphenyl)-2-(phenylimino)-1,3-thiazol-3(2H)-yl]ethanol
CID 683363
(Z)-2-((4-(4-methoxyphenyl)-3-phenylthiazol-2(3H)-ylidene)amino)ethanol hydrobromide
CID 18552734
3-ethyl-4-(3-fluoro-4-methoxyphenyl)-N-phenyl-1,3-thiazol-2-imine
CID 693862
N-(3-(3-(Dimethylamino)propyl)-4-(4-methoxyphenyl)-1,3-thiazol-2(3H)-ylidene)aniline
CID 396118
2-[(2Z)-4-(4-methoxyphenyl)-2-(phenylimino)-1,3-thiazol-3(2H)-yl]ethanol
CID 701126
N-(4-ethoxyphenyl)-N-(4-[4-(4-morpholinylsulfonyl)phenyl]-3-propyl-1,3-thiazol-2(3H)-ylidene)amine
CID 1037718
2-[(2Z)-4-(3-fluoro-4-methoxyphenyl)-2-[(4-fluorophenyl)imino]-1,3-thiazol-3(2H)-yl]ethanol
CID 1514809
3-[(2Z)-2-[(4-ethoxyphenyl)imino]-4-(4-fluorophenyl)-1,3-thiazol-3(2H)-yl]propan-1-ol
CID 4410921
CID 9549117
CID 9549117
2-(4-(4-methoxyphenyl)-2-[(4-methoxyphenyl)imino]-1,3-thiazol-3(2H)-yl)ethanol
CID 9549118
2-((2Z)-2-[(4-ethoxyphenyl)imino]-4-phenyl-1,3-thiazol-3(2H)-yl)ethanol hydrobromide
CID 9551314

Frequently Asked Questions

What is the IUPAC name of N,4-bis(4-methoxyphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine;hydrobromide?
The IUPAC name of N,4-bis(4-methoxyphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine;hydrobromide (CID 16806071) is N,4-bis(4-methoxyphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine;hydrobromide.
What is the SMILES notation for N,4-bis(4-methoxyphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine;hydrobromide?
The canonical SMILES for N,4-bis(4-methoxyphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine;hydrobromide is Br.COc1ccc(/N=c2\scc(-c3ccc(OC)cc3)n2CCN2CCOCC2)cc1.
What is the InChIKey of N,4-bis(4-methoxyphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine;hydrobromide?
The InChIKey is WKIVLLYEKMQFPX-DCXSSQDFSA-N. The full InChI is InChI=1S/C23H27N3O3S.BrH/c1-27-20-7-3-18(4-8-20)22-17-30-23(24-19-5-9-21(28-2)10-6-19)26(22)12-11-25-13-15-29-16-14-25;/h3-10,17H,11-16H2,1-2H3;1H/b24-23-;.
What are the key properties of N,4-bis(4-methoxyphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine;hydrobromide?
N,4-bis(4-methoxyphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine;hydrobromide has a molecular weight of 506.47 g/mol, XLogP of 4.38, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-bis(4-methoxyphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine;hydrobromide is sourced from PubChem (CID 16806071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).