4-[(Z)-[[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]benzoic acid

C20H19N3O2S — CID 110534753

IUPAC4-[(Z)-[[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]benzoic acid
SMILESCc1cc(C)c(-c2csc(N/N=C\c3ccc(C(=O)O)cc3)n2)c(C)c1
InChIInChI=1S/C20H19N3O2S/c1-12-8-13(2)18(14(3)9-12)17-11-26-20(22-17)23-21-10-15-4-6-16(7-5-15)19(24)25/h4-11H,1-3H3,(H,22,23)(H,24,25)/b21-10-
InChIKeyGHSKHJIOSKXDEK-FBHDLOMBSA-N
MW365.46 g/mol
LogP4.88
Rot. Bonds5

About 4-[(Z)-[[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]benzoic acid

4-[(Z)-[[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]benzoic acid (PubChem CID 110534753) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is 4-[(Z)-[[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]benzoic acid.

Molecular Properties

Compound Name4-[(Z)-[[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]benzoic acid
PubChem CID110534753
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC Name4-[(Z)-[[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]benzoic acid
SMILESCc1cc(C)c(-c2csc(N/N=C\c3ccc(C(=O)O)cc3)n2)c(C)c1
InChIInChI=1S/C20H19N3O2S/c1-12-8-13(2)18(14(3)9-12)17-11-26-20(22-17)23-21-10-15-4-6-16(7-5-15)19(24)25/h4-11H,1-3H3,(H,22,23)(H,24,25)/b21-10-
InChIKeyGHSKHJIOSKXDEK-FBHDLOMBSA-N
XLogP4.88
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

3-[(Z)-[[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 110536669
N-[(Z)-[4-(2-methylpropoxy)phenyl]methylideneamino]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine
CID 110532880
4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzoic acid
CID 168625512
N-[(Z)-(3-methoxyphenyl)methylideneamino]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine
CID 110535752
4-[(E)-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]benzoic acid
CID 110337561
N-[(Z)-(2-bromophenyl)methylideneamino]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine
CID 110532425
N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine
CID 110533144
4-[(Z)-[[4-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]benzoic acid
CID 110537667
4-[(Z)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzoate
CID 7822015
2-[4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]pyridine-4-carboxylic acid
CID 168619499
N-[(Z)-(3-ethoxy-4-pentoxyphenyl)methylideneamino]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine
CID 110529905
N-[(Z)-(3-propoxyphenyl)methylideneamino]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine
CID 110533759

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-[[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]benzoic acid?
The IUPAC name of 4-[(Z)-[[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]benzoic acid (CID 110534753) is 4-[(Z)-[[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]benzoic acid.
What is the SMILES notation for 4-[(Z)-[[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]benzoic acid?
The canonical SMILES for 4-[(Z)-[[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]benzoic acid is Cc1cc(C)c(-c2csc(N/N=C\c3ccc(C(=O)O)cc3)n2)c(C)c1.
What is the InChIKey of 4-[(Z)-[[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]benzoic acid?
The InChIKey is GHSKHJIOSKXDEK-FBHDLOMBSA-N. The full InChI is InChI=1S/C20H19N3O2S/c1-12-8-13(2)18(14(3)9-12)17-11-26-20(22-17)23-21-10-15-4-6-16(7-5-15)19(24)25/h4-11H,1-3H3,(H,22,23)(H,24,25)/b21-10-.
What are the key properties of 4-[(Z)-[[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]benzoic acid?
4-[(Z)-[[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]benzoic acid has a molecular weight of 365.46 g/mol, XLogP of 4.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-[[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]benzoic acid is sourced from PubChem (CID 110534753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).