4-[2-[(2E)-2-[(2,5-dimethoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenol;hydrobromide

C18H18BrN3O3S — CID 172885904

IUPAC4-[2-[(2E)-2-[(2,5-dimethoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenol;hydrobromide
SMILESBr.COc1ccc(OC)c(/C=N/Nc2nc(-c3ccc(O)cc3)cs2)c1
InChIInChI=1S/C18H17N3O3S.BrH/c1-23-15-7-8-17(24-2)13(9-15)10-19-21-18-20-16(11-25-18)12-3-5-14(22)6-4-12;/h3-11,22H,1-2H3,(H,20,21);1H/b19-10+;
InChIKeyZCWHJEGBFKEXSN-ZIOFAICLSA-N
MW436.33 g/mol
LogP4.56
Rot. Bonds6

About 4-[2-[(2E)-2-[(2,5-dimethoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenol;hydrobromide

4-[2-[(2E)-2-[(2,5-dimethoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenol;hydrobromide (PubChem CID 172885904) has the molecular formula C18H18BrN3O3S and a molecular weight of 436.33 g/mol. Its IUPAC name is 4-[2-[(2E)-2-[(2,5-dimethoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenol;hydrobromide.

Molecular Properties

Compound Name4-[2-[(2E)-2-[(2,5-dimethoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenol;hydrobromide
PubChem CID172885904
Molecular FormulaC18H18BrN3O3S
Molecular Weight436.33 g/mol
Exact Mass435.03
IUPAC Name4-[2-[(2E)-2-[(2,5-dimethoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenol;hydrobromide
SMILESBr.COc1ccc(OC)c(/C=N/Nc2nc(-c3ccc(O)cc3)cs2)c1
InChIInChI=1S/C18H17N3O3S.BrH/c1-23-15-7-8-17(24-2)13(9-15)10-19-21-18-20-16(11-25-18)12-3-5-14(22)6-4-12;/h3-11,22H,1-2H3,(H,20,21);1H/b19-10+;
InChIKeyZCWHJEGBFKEXSN-ZIOFAICLSA-N
XLogP4.56
TPSA75.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.33
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-[(Z)-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 135754061
2-bromo-6-methoxy-3-[(Z)-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 110530598
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 6308548
4-(3-methoxyphenyl)-N-[(Z)-(2-methoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 110536568
N-[(5-chloro-2-methoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168578410
methyl 2-[2-[(2Z)-2-[(2,5-dimethoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 110536796
N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-4-(3,4-dimethylphenyl)-1,3-thiazol-2-amine
CID 110531466
4-(4-chlorophenyl)-N-[(2-methoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 2845165
N-[[2-(2,5-dimethoxyphenyl)sulfinylphenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577489
2-iodo-6-methoxy-3-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 168578076
4-[(Z)-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 135788950
N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 110533887

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2E)-2-[(2,5-dimethoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenol;hydrobromide?
The IUPAC name of 4-[2-[(2E)-2-[(2,5-dimethoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenol;hydrobromide (CID 172885904) is 4-[2-[(2E)-2-[(2,5-dimethoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenol;hydrobromide.
What is the SMILES notation for 4-[2-[(2E)-2-[(2,5-dimethoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenol;hydrobromide?
The canonical SMILES for 4-[2-[(2E)-2-[(2,5-dimethoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenol;hydrobromide is Br.COc1ccc(OC)c(/C=N/Nc2nc(-c3ccc(O)cc3)cs2)c1.
What is the InChIKey of 4-[2-[(2E)-2-[(2,5-dimethoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenol;hydrobromide?
The InChIKey is ZCWHJEGBFKEXSN-ZIOFAICLSA-N. The full InChI is InChI=1S/C18H17N3O3S.BrH/c1-23-15-7-8-17(24-2)13(9-15)10-19-21-18-20-16(11-25-18)12-3-5-14(22)6-4-12;/h3-11,22H,1-2H3,(H,20,21);1H/b19-10+;.
What are the key properties of 4-[2-[(2E)-2-[(2,5-dimethoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenol;hydrobromide?
4-[2-[(2E)-2-[(2,5-dimethoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenol;hydrobromide has a molecular weight of 436.33 g/mol, XLogP of 4.56, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2E)-2-[(2,5-dimethoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenol;hydrobromide is sourced from PubChem (CID 172885904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).