N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine

C12H13N3O2S — CID 5349994

IUPACN-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
SMILESCOc1ccc(OC)c(/C=N\Nc2nccs2)c1
InChIInChI=1S/C12H13N3O2S/c1-16-10-3-4-11(17-2)9(7-10)8-14-15-12-13-5-6-18-12/h3-8H,1-2H3,(H,13,15)/b14-8-
InChIKeyLYFXOJHVVJHYKX-ZSOIEALJSA-N
MW263.32 g/mol
LogP2.61
Rot. Bonds5

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

N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine (PubChem CID 5349994) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
PubChem CID5349994
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC NameN-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
SMILESCOc1ccc(OC)c(/C=N\Nc2nccs2)c1
InChIInChI=1S/C12H13N3O2S/c1-16-10-3-4-11(17-2)9(7-10)8-14-15-12-13-5-6-18-12/h3-8H,1-2H3,(H,13,15)/b14-8-
InChIKeyLYFXOJHVVJHYKX-ZSOIEALJSA-N
XLogP2.61
TPSA55.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[(4-methoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 74253241
2,6-dimethoxy-4-[(E)-(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol
CID 135781520
2-methoxy-4-[(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol
CID 2789383
methyl 2-[2-[(2Z)-2-[(2,5-dimethoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 110536796
4-[2-[(2E)-2-[(2,5-dimethoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenol;hydrobromide
CID 172885904
1-[2-[2-[(2,5-dimethoxyphenyl)methylidene]hydrazinyl]-4-methyl-1,3-thiazol-5-yl]ethanone;hydrobromide
CID 2848587
N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-6,7-dimethoxyquinazolin-4-amine
CID 110194361
N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]acridin-9-amine
CID 44715025
2-[(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol
CID 2789386
2-N-[(5-methoxy-2-prop-2-ynoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168626917
methyl 2-[(2Z)-2-[(2,5-dimethoxyphenyl)methylidene]hydrazinyl]-4-phenyl-1,3-thiazole-5-carboxylate
CID 110532642
methyl N-[(2,5-dimethoxyphenyl)methylideneamino]carbamate
CID 5087461

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine?
The IUPAC name of N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine (CID 5349994) is N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine?
The canonical SMILES for N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine is COc1ccc(OC)c(/C=N\Nc2nccs2)c1.
What is the InChIKey of N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine?
The InChIKey is LYFXOJHVVJHYKX-ZSOIEALJSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-16-10-3-4-11(17-2)9(7-10)8-14-15-12-13-5-6-18-12/h3-8H,1-2H3,(H,13,15)/b14-8-.
What are the key properties of N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine?
N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine has a molecular weight of 263.32 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine is sourced from PubChem (CID 5349994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).