N-[[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine

C16H22N4O2S — CID 168618452

IUPACN-[[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
SMILESCOc1cccc(C=NNc2nc(C)cs2)c1OCCN(C)C
InChIInChI=1S/C16H22N4O2S/c1-12-11-23-16(18-12)19-17-10-13-6-5-7-14(21-4)15(13)22-9-8-20(2)3/h5-7,10-11H,8-9H2,1-4H3,(H,18,19)
InChIKeyJJONYAYRVKUEMF-UHFFFAOYSA-N
MW334.45 g/mol
LogP2.85
Rot. Bonds8

About N-[[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine

N-[[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine (PubChem CID 168618452) has the molecular formula C16H22N4O2S and a molecular weight of 334.45 g/mol. Its IUPAC name is N-[[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
PubChem CID168618452
Molecular FormulaC16H22N4O2S
Molecular Weight334.45 g/mol
Exact Mass334.15
IUPAC NameN-[[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
SMILESCOc1cccc(C=NNc2nc(C)cs2)c1OCCN(C)C
InChIInChI=1S/C16H22N4O2S/c1-12-11-23-16(18-12)19-17-10-13-6-5-7-14(21-4)15(13)22-9-8-20(2)3/h5-7,10-11H,8-9H2,1-4H3,(H,18,19)
InChIKeyJJONYAYRVKUEMF-UHFFFAOYSA-N
XLogP2.85
TPSA58.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 52.85
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

N-[(2-ethoxy-3-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 74170624
N-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168618551
4-methyl-N-[(2,3,4-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 168616831
N-[(2,6-dimethoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168616905
N-[(3-methoxy-2-propoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577257
N-[(Z)-(2-butoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 42459776
N-[[3-[3-(dimethylamino)propoxy]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168617096
4-methyl-N-[(2-pentoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 74170462
4-methyl-N-[(Z)-(2-pentoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 42421877
4-methyl-N-[(2,4,5-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 74170458
N-[(Z)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 110536776
N-[[2-[3-(dimethylamino)propoxy]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168579344

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-[[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine (CID 168618452) is N-[[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine is COc1cccc(C=NNc2nc(C)cs2)c1OCCN(C)C.
What is the InChIKey of N-[[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine?
The InChIKey is JJONYAYRVKUEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-12-11-23-16(18-12)19-17-10-13-6-5-7-14(21-4)15(13)22-9-8-20(2)3/h5-7,10-11H,8-9H2,1-4H3,(H,18,19).
What are the key properties of N-[[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine?
N-[[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine has a molecular weight of 334.45 g/mol, XLogP of 2.85, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 168618452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).