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

C12H13N3OS — CID 10399728

IUPACN-[(E)-(4-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
SMILESCOc1ccc(/C=N/Nc2nc(C)cs2)cc1
InChIInChI=1S/C12H13N3OS/c1-9-8-17-12(14-9)15-13-7-10-3-5-11(16-2)6-4-10/h3-8H,1-2H3,(H,14,15)/b13-7+
InChIKeyJDMMIMJFRBFCCE-NTUHNPAUSA-N
MW247.32 g/mol
LogP2.91
Rot. Bonds4

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

N-[(E)-(4-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine (PubChem CID 10399728) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is N-[(E)-(4-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(E)-(4-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
PubChem CID10399728
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC NameN-[(E)-(4-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
SMILESCOc1ccc(/C=N/Nc2nc(C)cs2)cc1
InChIInChI=1S/C12H13N3OS/c1-9-8-17-12(14-9)15-13-7-10-3-5-11(16-2)6-4-10/h3-8H,1-2H3,(H,14,15)/b13-7+
InChIKeyJDMMIMJFRBFCCE-NTUHNPAUSA-N
XLogP2.91
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.91
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

2-Amino-4-(4-methoxyphenyl)thiazole
CID 159644
Benzaldehyde, 4-hydroxy-, (4-tert-butyl-2-thiazolyl)hydrazone
CID 135492169
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]guanidine
CID 3780371
2-[(2E)-2-(4-methoxybenzylidene)hydrazinyl]-4-phenyl-1,3-thiazole
CID 5710390
4-(2-(p-Tolyloxy)ethyl)thiazol-2-amine
CID 2050018
4-Ethoxy-2-hydroxybenzaldehyde (4-methyl-1,3-thiazol-2-yl)hydrazone
CID 135426289
4-{(1E)-1-[2-(4-tert-butyl-1,3-thiazol-2-yl)hydrazinylidene]ethyl}phenol
CID 135492174
2-(2-Cyclopentylidenehydrazinyl)-4-(4-methoxyphenyl)thiazole
CID 25193423
2-[(2E)-2-(3,4-dimethoxybenzylidene)hydrazinyl]-4-phenyl-1,3-thiazole
CID 9648910
2-[(2E)-2-(3,4-dimethoxybenzylidene)hydrazinyl]-4-methyl-1,3-thiazole
CID 9680697
1-(4-(3-Methoxyphenyl)thiazol-2-yl)-2-(3-methylcyclopentylidene)hydrazine
CID 49863576
1-(4-(3-Methoxyphenyl)thiazol-2-yl)-2-(2-methylcyclopentylidene)hydrazine
CID 49863577

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-[(E)-(4-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine (CID 10399728) is N-[(E)-(4-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(E)-(4-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[(E)-(4-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine is COc1ccc(/C=N/Nc2nc(C)cs2)cc1.
What is the InChIKey of N-[(E)-(4-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine?
The InChIKey is JDMMIMJFRBFCCE-NTUHNPAUSA-N. The full InChI is InChI=1S/C12H13N3OS/c1-9-8-17-12(14-9)15-13-7-10-3-5-11(16-2)6-4-10/h3-8H,1-2H3,(H,14,15)/b13-7+.
What are the key properties of N-[(E)-(4-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine?
N-[(E)-(4-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine has a molecular weight of 247.32 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 10399728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).