N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-1-(3-methoxyphenyl)-N-methylmethanamine

C13H18N4OS — CID 79763885

IUPACN-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-1-(3-methoxyphenyl)-N-methylmethanamine
SMILESCOc1cccc(CN(C)Cc2cnc(NN)s2)c1
InChIInChI=1S/C13H18N4OS/c1-17(9-12-7-15-13(16-14)19-12)8-10-4-3-5-11(6-10)18-2/h3-7H,8-9,14H2,1-2H3,(H,15,16)
InChIKeyHBELGFKEKZLXER-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.07
Rot. Bonds6

About N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-1-(3-methoxyphenyl)-N-methylmethanamine

N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-1-(3-methoxyphenyl)-N-methylmethanamine (PubChem CID 79763885) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-1-(3-methoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound NameN-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-1-(3-methoxyphenyl)-N-methylmethanamine
PubChem CID79763885
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC NameN-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-1-(3-methoxyphenyl)-N-methylmethanamine
SMILESCOc1cccc(CN(C)Cc2cnc(NN)s2)c1
InChIInChI=1S/C13H18N4OS/c1-17(9-12-7-15-13(16-14)19-12)8-10-4-3-5-11(6-10)18-2/h3-7H,8-9,14H2,1-2H3,(H,15,16)
InChIKeyHBELGFKEKZLXER-UHFFFAOYSA-N
XLogP2.07
TPSA63.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-3-methoxy-N-methylpropan-1-amine
CID 79764263
5-[[(3-methoxyphenyl)methyl-methylamino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 80607357
5-[[(3-methoxyphenyl)methyl-methylamino]methyl]-N-methylpyridin-2-amine
CID 62208653
1-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylmethanamine
CID 22070460
5-[[(3-methoxyphenyl)methyl-methylamino]methyl]furan-2-carbohydrazide
CID 63578444
4-[[(3-methoxyphenyl)methyl-methylamino]methyl]-2-methylaniline
CID 61418042
[5-[(3,5-dimethoxyphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
CID 79764026
N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-N,3-dimethylaniline
CID 79764122
5-[[methyl-[(3-methylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine
CID 79772147
[5-[(3-methoxyphenyl)methoxymethyl]-1,3,4-thiadiazol-2-yl]hydrazine
CID 80614106
[5-[[(3-methoxyphenyl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]methanamine
CID 62412644
1-(2-hydrazinyl-1,3-thiazol-5-yl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 79765541

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-1-(3-methoxyphenyl)-N-methylmethanamine?
The IUPAC name of N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-1-(3-methoxyphenyl)-N-methylmethanamine (CID 79763885) is N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-1-(3-methoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-1-(3-methoxyphenyl)-N-methylmethanamine?
The canonical SMILES for N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-1-(3-methoxyphenyl)-N-methylmethanamine is COc1cccc(CN(C)Cc2cnc(NN)s2)c1.
What is the InChIKey of N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-1-(3-methoxyphenyl)-N-methylmethanamine?
The InChIKey is HBELGFKEKZLXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-17(9-12-7-15-13(16-14)19-12)8-10-4-3-5-11(6-10)18-2/h3-7H,8-9,14H2,1-2H3,(H,15,16).
What are the key properties of N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-1-(3-methoxyphenyl)-N-methylmethanamine?
N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-1-(3-methoxyphenyl)-N-methylmethanamine has a molecular weight of 278.38 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-1-(3-methoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 79763885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).