N-[[2-(2,5-dimethoxyphenyl)sulfinylphenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine

C24H21N3O3S2 — CID 168577489

IUPACN-[[2-(2,5-dimethoxyphenyl)sulfinylphenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
SMILESCOc1ccc(OC)c(S(=O)c2ccccc2C=NNc2nc(-c3ccccc3)cs2)c1
InChIInChI=1S/C24H21N3O3S2/c1-29-19-12-13-21(30-2)23(14-19)32(28)22-11-7-6-10-18(22)15-25-27-24-26-20(16-31-24)17-8-4-3-5-9-17/h3-16H,1-2H3,(H,26,27)
InChIKeyKTDOBJNJRFIOME-UHFFFAOYSA-N
MW463.58 g/mol
LogP5.44
Rot. Bonds8

About N-[[2-(2,5-dimethoxyphenyl)sulfinylphenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine

N-[[2-(2,5-dimethoxyphenyl)sulfinylphenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine (PubChem CID 168577489) has the molecular formula C24H21N3O3S2 and a molecular weight of 463.58 g/mol. Its IUPAC name is N-[[2-(2,5-dimethoxyphenyl)sulfinylphenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[[2-(2,5-dimethoxyphenyl)sulfinylphenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
PubChem CID168577489
Molecular FormulaC24H21N3O3S2
Molecular Weight463.58 g/mol
Exact Mass463.10
IUPAC NameN-[[2-(2,5-dimethoxyphenyl)sulfinylphenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
SMILESCOc1ccc(OC)c(S(=O)c2ccccc2C=NNc2nc(-c3ccccc3)cs2)c1
InChIInChI=1S/C24H21N3O3S2/c1-29-19-12-13-21(30-2)23(14-19)32(28)22-11-7-6-10-18(22)15-25-27-24-26-20(16-31-24)17-8-4-3-5-9-17/h3-16H,1-2H3,(H,26,27)
InChIKeyKTDOBJNJRFIOME-UHFFFAOYSA-N
XLogP5.44
TPSA72.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.58
LogP ≤ 55.44
H-Bond Donors ≤ 51
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-(3-methoxyphenyl)-N-[(Z)-(2-methoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 110536568
N-[[2-(3,4-dimethoxyphenyl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168576815
N-[(5-chloro-2-methoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168578410
4-[2-[(2E)-2-[(2,5-dimethoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenol;hydrobromide
CID 172885904
N-[(2-chloro-3-fluoro-4-methoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577930
N-[(3,5-dimethoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168576843
2-iodo-6-methoxy-3-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 168578076
N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 110533887
N-[[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168579506
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 6308548
N-[(Z)-(2-bromophenyl)methylideneamino]-4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-amine
CID 110531375
4-bromo-2-methoxy-5-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 78699323

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,5-dimethoxyphenyl)sulfinylphenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
The IUPAC name of N-[[2-(2,5-dimethoxyphenyl)sulfinylphenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine (CID 168577489) is N-[[2-(2,5-dimethoxyphenyl)sulfinylphenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[[2-(2,5-dimethoxyphenyl)sulfinylphenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[[2-(2,5-dimethoxyphenyl)sulfinylphenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine is COc1ccc(OC)c(S(=O)c2ccccc2C=NNc2nc(-c3ccccc3)cs2)c1.
What is the InChIKey of N-[[2-(2,5-dimethoxyphenyl)sulfinylphenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
The InChIKey is KTDOBJNJRFIOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3S2/c1-29-19-12-13-21(30-2)23(14-19)32(28)22-11-7-6-10-18(22)15-25-27-24-26-20(16-31-24)17-8-4-3-5-9-17/h3-16H,1-2H3,(H,26,27).
What are the key properties of N-[[2-(2,5-dimethoxyphenyl)sulfinylphenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
N-[[2-(2,5-dimethoxyphenyl)sulfinylphenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine has a molecular weight of 463.58 g/mol, XLogP of 5.44, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,5-dimethoxyphenyl)sulfinylphenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 168577489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).