N-[(Z)-(3-chloro-4-phenylmethoxyphenyl)methylideneamino]-4-(2,4-dimethylphenyl)-1,3-thiazol-2-amine

C25H22ClN3OS — CID 110530035

IUPACN-[(Z)-(3-chloro-4-phenylmethoxyphenyl)methylideneamino]-4-(2,4-dimethylphenyl)-1,3-thiazol-2-amine
SMILESCc1ccc(-c2csc(N/N=C\c3ccc(OCc4ccccc4)c(Cl)c3)n2)c(C)c1
InChIInChI=1S/C25H22ClN3OS/c1-17-8-10-21(18(2)12-17)23-16-31-25(28-23)29-27-14-20-9-11-24(22(26)13-20)30-15-19-6-4-3-5-7-19/h3-14,16H,15H2,1-2H3,(H,28,29)/b27-14-
InChIKeyHMXHYOBWCMHPLP-VYYCAZPPSA-N
MW447.99 g/mol
LogP7.11
Rot. Bonds7

About N-[(Z)-(3-chloro-4-phenylmethoxyphenyl)methylideneamino]-4-(2,4-dimethylphenyl)-1,3-thiazol-2-amine

N-[(Z)-(3-chloro-4-phenylmethoxyphenyl)methylideneamino]-4-(2,4-dimethylphenyl)-1,3-thiazol-2-amine (PubChem CID 110530035) has the molecular formula C25H22ClN3OS and a molecular weight of 447.99 g/mol. Its IUPAC name is N-[(Z)-(3-chloro-4-phenylmethoxyphenyl)methylideneamino]-4-(2,4-dimethylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(Z)-(3-chloro-4-phenylmethoxyphenyl)methylideneamino]-4-(2,4-dimethylphenyl)-1,3-thiazol-2-amine
PubChem CID110530035
Molecular FormulaC25H22ClN3OS
Molecular Weight447.99 g/mol
Exact Mass447.12
IUPAC NameN-[(Z)-(3-chloro-4-phenylmethoxyphenyl)methylideneamino]-4-(2,4-dimethylphenyl)-1,3-thiazol-2-amine
SMILESCc1ccc(-c2csc(N/N=C\c3ccc(OCc4ccccc4)c(Cl)c3)n2)c(C)c1
InChIInChI=1S/C25H22ClN3OS/c1-17-8-10-21(18(2)12-17)23-16-31-25(28-23)29-27-14-20-9-11-24(22(26)13-20)30-15-19-6-4-3-5-7-19/h3-14,16H,15H2,1-2H3,(H,28,29)/b27-14-
InChIKeyHMXHYOBWCMHPLP-VYYCAZPPSA-N
XLogP7.11
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.99
LogP ≤ 57.11
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-(2,4-dimethylphenyl)-N-[(Z)-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 110529730
3-[(Z)-[[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 110537464
N-[(E)-(3-chloro-4-phenylmethoxyphenyl)methylideneamino]-4-methylaniline
CID 110505513
4-[(Z)-[[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]-2-methoxyphenol
CID 136822056
N-[(Z)-(4-bromophenyl)methylideneamino]-4-(2,4-dimethylphenyl)-1,3-thiazol-2-amine
CID 110533320
4-(2,4-dimethylphenyl)-N-[(Z)-(3-propoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 110534703
N-[(Z)-[3-chloro-5-ethoxy-4-(2-methylpropoxy)phenyl]methylideneamino]-4-(2,4-dimethylphenyl)-1,3-thiazol-2-amine
CID 110529725
N-[[3-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168579129
4-(2,4-dimethylphenyl)-N-[(E)-(4-fluorophenyl)methylideneamino]-1,3-thiazol-2-amine bromide
CID 21203586
4-(2,4-dimethylphenyl)-N-[(Z)-pyridin-4-ylmethylideneamino]-1,3-thiazol-2-amine
CID 110538193
4-(2,4-dichlorophenyl)-N-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-1,3-thiazol-2-amine
CID 4140219
N-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168578469

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-chloro-4-phenylmethoxyphenyl)methylideneamino]-4-(2,4-dimethylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-[(Z)-(3-chloro-4-phenylmethoxyphenyl)methylideneamino]-4-(2,4-dimethylphenyl)-1,3-thiazol-2-amine (CID 110530035) is N-[(Z)-(3-chloro-4-phenylmethoxyphenyl)methylideneamino]-4-(2,4-dimethylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(Z)-(3-chloro-4-phenylmethoxyphenyl)methylideneamino]-4-(2,4-dimethylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-[(Z)-(3-chloro-4-phenylmethoxyphenyl)methylideneamino]-4-(2,4-dimethylphenyl)-1,3-thiazol-2-amine is Cc1ccc(-c2csc(N/N=C\c3ccc(OCc4ccccc4)c(Cl)c3)n2)c(C)c1.
What is the InChIKey of N-[(Z)-(3-chloro-4-phenylmethoxyphenyl)methylideneamino]-4-(2,4-dimethylphenyl)-1,3-thiazol-2-amine?
The InChIKey is HMXHYOBWCMHPLP-VYYCAZPPSA-N. The full InChI is InChI=1S/C25H22ClN3OS/c1-17-8-10-21(18(2)12-17)23-16-31-25(28-23)29-27-14-20-9-11-24(22(26)13-20)30-15-19-6-4-3-5-7-19/h3-14,16H,15H2,1-2H3,(H,28,29)/b27-14-.
What are the key properties of N-[(Z)-(3-chloro-4-phenylmethoxyphenyl)methylideneamino]-4-(2,4-dimethylphenyl)-1,3-thiazol-2-amine?
N-[(Z)-(3-chloro-4-phenylmethoxyphenyl)methylideneamino]-4-(2,4-dimethylphenyl)-1,3-thiazol-2-amine has a molecular weight of 447.99 g/mol, XLogP of 7.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-chloro-4-phenylmethoxyphenyl)methylideneamino]-4-(2,4-dimethylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 110530035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).