N-[(Z)-[4-(2-methylpropoxy)phenyl]methylideneamino]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine

C23H27N3OS — CID 110532880

IUPACN-[(Z)-[4-(2-methylpropoxy)phenyl]methylideneamino]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine
SMILESCc1cc(C)c(-c2csc(N/N=C\c3ccc(OCC(C)C)cc3)n2)c(C)c1
InChIInChI=1S/C23H27N3OS/c1-15(2)13-27-20-8-6-19(7-9-20)12-24-26-23-25-21(14-28-23)22-17(4)10-16(3)11-18(22)5/h6-12,14-15H,13H2,1-5H3,(H,25,26)/b24-12-
InChIKeyVXXYDSQISCVUQF-MSXFZWOLSA-N
MW393.56 g/mol
LogP6.22
Rot. Bonds7

About N-[(Z)-[4-(2-methylpropoxy)phenyl]methylideneamino]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine

N-[(Z)-[4-(2-methylpropoxy)phenyl]methylideneamino]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine (PubChem CID 110532880) has the molecular formula C23H27N3OS and a molecular weight of 393.56 g/mol. Its IUPAC name is N-[(Z)-[4-(2-methylpropoxy)phenyl]methylideneamino]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(Z)-[4-(2-methylpropoxy)phenyl]methylideneamino]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine
PubChem CID110532880
Molecular FormulaC23H27N3OS
Molecular Weight393.56 g/mol
Exact Mass393.19
IUPAC NameN-[(Z)-[4-(2-methylpropoxy)phenyl]methylideneamino]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine
SMILESCc1cc(C)c(-c2csc(N/N=C\c3ccc(OCC(C)C)cc3)n2)c(C)c1
InChIInChI=1S/C23H27N3OS/c1-15(2)13-27-20-8-6-19(7-9-20)12-24-26-23-25-21(14-28-23)22-17(4)10-16(3)11-18(22)5/h6-12,14-15H,13H2,1-5H3,(H,25,26)/b24-12-
InChIKeyVXXYDSQISCVUQF-MSXFZWOLSA-N
XLogP6.22
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.56
LogP ≤ 56.22
H-Bond Donors ≤ 51
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

4-[(Z)-[[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]benzoic acid
CID 110534753
N-[(Z)-(3-propoxyphenyl)methylideneamino]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine
CID 110533759
N-[(Z)-(3-methoxyphenyl)methylideneamino]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine
CID 110535752
3-[(Z)-[[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 110536669
N-[(Z)-(3-ethoxy-4-pentoxyphenyl)methylideneamino]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine
CID 110529905
4,5-dimethyl-N-[(Z)-[4-(2-methylpropoxy)phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 110538404
N-[(Z)-[3-chloro-5-ethoxy-4-(2-methylpropoxy)phenyl]methylideneamino]-4-(2,4-dimethylphenyl)-1,3-thiazol-2-amine
CID 110529725
N-[[4-(3-methylbutoxy)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577275
N-[(Z)-[3-chloro-5-ethoxy-4-(2-methylpropoxy)phenyl]methylideneamino]-4-(3,4-dimethylphenyl)-1,3-thiazol-2-amine
CID 110529726
N-[(Z)-(2-bromophenyl)methylideneamino]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine
CID 110532425
N-[(E)-(4-ethoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 5348565
2-N-[[4-(3-methylbutoxy)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168625936

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[4-(2-methylpropoxy)phenyl]methylideneamino]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-[(Z)-[4-(2-methylpropoxy)phenyl]methylideneamino]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine (CID 110532880) is N-[(Z)-[4-(2-methylpropoxy)phenyl]methylideneamino]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(Z)-[4-(2-methylpropoxy)phenyl]methylideneamino]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-[(Z)-[4-(2-methylpropoxy)phenyl]methylideneamino]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine is Cc1cc(C)c(-c2csc(N/N=C\c3ccc(OCC(C)C)cc3)n2)c(C)c1.
What is the InChIKey of N-[(Z)-[4-(2-methylpropoxy)phenyl]methylideneamino]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine?
The InChIKey is VXXYDSQISCVUQF-MSXFZWOLSA-N. The full InChI is InChI=1S/C23H27N3OS/c1-15(2)13-27-20-8-6-19(7-9-20)12-24-26-23-25-21(14-28-23)22-17(4)10-16(3)11-18(22)5/h6-12,14-15H,13H2,1-5H3,(H,25,26)/b24-12-.
What are the key properties of N-[(Z)-[4-(2-methylpropoxy)phenyl]methylideneamino]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine?
N-[(Z)-[4-(2-methylpropoxy)phenyl]methylideneamino]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine has a molecular weight of 393.56 g/mol, XLogP of 6.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[4-(2-methylpropoxy)phenyl]methylideneamino]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 110532880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).