N-[(Z)-(4-methoxy-3-propan-2-yloxyphenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine

C16H21N3O2S — CID 110537631

IUPACN-[(Z)-(4-methoxy-3-propan-2-yloxyphenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine
SMILESCOc1ccc(/C=N\Nc2nc(C)c(C)s2)cc1OC(C)C
InChIInChI=1S/C16H21N3O2S/c1-10(2)21-15-8-13(6-7-14(15)20-5)9-17-19-16-18-11(3)12(4)22-16/h6-10H,1-5H3,(H,18,19)/b17-9-
InChIKeyOOSMKOQBERRZND-MFOYZWKCSA-N
MW319.43 g/mol
LogP4.00
Rot. Bonds6

About N-[(Z)-(4-methoxy-3-propan-2-yloxyphenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine

N-[(Z)-(4-methoxy-3-propan-2-yloxyphenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine (PubChem CID 110537631) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-[(Z)-(4-methoxy-3-propan-2-yloxyphenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(Z)-(4-methoxy-3-propan-2-yloxyphenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine
PubChem CID110537631
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC NameN-[(Z)-(4-methoxy-3-propan-2-yloxyphenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine
SMILESCOc1ccc(/C=N\Nc2nc(C)c(C)s2)cc1OC(C)C
InChIInChI=1S/C16H21N3O2S/c1-10(2)21-15-8-13(6-7-14(15)20-5)9-17-19-16-18-11(3)12(4)22-16/h6-10H,1-5H3,(H,18,19)/b17-9-
InChIKeyOOSMKOQBERRZND-MFOYZWKCSA-N
XLogP4.00
TPSA55.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 54.00
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'}

Analyze N-[(Z)-(4-methoxy-3-propan-2-yloxyphenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine with MolForge

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Launch Full Analysis

Related Compounds

methyl 4-ethyl-2-[(2Z)-2-[(4-methoxy-3-propan-2-yloxyphenyl)methylidene]hydrazinyl]-1,3-thiazole-5-carboxylate
CID 110533959
N-[(Z)-(4-methoxy-3-propan-2-yloxyphenyl)methylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 110533645
N-[(Z)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-1,3-benzothiazol-2-amine
CID 110510775
[4-[[(4,5-dimethyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-methoxyphenyl] 2-methoxybenzoate
CID 3947539
[4-[(Z)-[(4,5-dimethyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-methoxyphenyl] furan-2-carboxylate
CID 126068737
4-chloro-N-[(E)-(4-methoxy-3-propan-2-yloxyphenyl)methylideneamino]aniline
CID 110506176
4-[(E)-[(4,5-dimethyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-ethoxyphenol
CID 139030148
ethyl 2-[(2Z)-2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 40548236
N-[(Z)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine
CID 110532594
4,5-dimethyl-N-[(Z)-[4-(2-methylpropoxy)phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 110538404
N-[(Z)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine
CID 110533418
methyl 4-[(E)-[(4,5-dimethyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzoate
CID 5341566

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-methoxy-3-propan-2-yloxyphenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine?
The IUPAC name of N-[(Z)-(4-methoxy-3-propan-2-yloxyphenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine (CID 110537631) is N-[(Z)-(4-methoxy-3-propan-2-yloxyphenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(Z)-(4-methoxy-3-propan-2-yloxyphenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[(Z)-(4-methoxy-3-propan-2-yloxyphenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine is COc1ccc(/C=N\Nc2nc(C)c(C)s2)cc1OC(C)C.
What is the InChIKey of N-[(Z)-(4-methoxy-3-propan-2-yloxyphenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine?
The InChIKey is OOSMKOQBERRZND-MFOYZWKCSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-10(2)21-15-8-13(6-7-14(15)20-5)9-17-19-16-18-11(3)12(4)22-16/h6-10H,1-5H3,(H,18,19)/b17-9-.
What are the key properties of N-[(Z)-(4-methoxy-3-propan-2-yloxyphenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine?
N-[(Z)-(4-methoxy-3-propan-2-yloxyphenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine has a molecular weight of 319.43 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-methoxy-3-propan-2-yloxyphenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 110537631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).