N-amino-N'-(2,6-dimethoxyphenyl)-4-ethyl-1,3-thiazole-2-carboximidamide

C14H18N4O2S — CID 134542057

IUPACN-amino-N'-(2,6-dimethoxyphenyl)-4-ethyl-1,3-thiazole-2-carboximidamide
SMILESCCc1csc(/C(=N/c2c(OC)cccc2OC)NN)n1
InChIInChI=1S/C14H18N4O2S/c1-4-9-8-21-14(16-9)13(18-15)17-12-10(19-2)6-5-7-11(12)20-3/h5-8H,4,15H2,1-3H3,(H,17,18)
InChIKeyHPERPTOYVAAHCD-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.26
Rot. Bonds5

About N-amino-N'-(2,6-dimethoxyphenyl)-4-ethyl-1,3-thiazole-2-carboximidamide

N-amino-N'-(2,6-dimethoxyphenyl)-4-ethyl-1,3-thiazole-2-carboximidamide (PubChem CID 134542057) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-amino-N'-(2,6-dimethoxyphenyl)-4-ethyl-1,3-thiazole-2-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-(2,6-dimethoxyphenyl)-4-ethyl-1,3-thiazole-2-carboximidamide
PubChem CID134542057
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC NameN-amino-N'-(2,6-dimethoxyphenyl)-4-ethyl-1,3-thiazole-2-carboximidamide
SMILESCCc1csc(/C(=N/c2c(OC)cccc2OC)NN)n1
InChIInChI=1S/C14H18N4O2S/c1-4-9-8-21-14(16-9)13(18-15)17-12-10(19-2)6-5-7-11(12)20-3/h5-8H,4,15H2,1-3H3,(H,17,18)
InChIKeyHPERPTOYVAAHCD-UHFFFAOYSA-N
XLogP2.26
TPSA81.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2,6-dimethoxyphenyl)-4-ethyl-1,3-thiazole-2-carboxamide
CID 134542864
4-[[(2-methoxyphenyl)methyl-methylamino]methyl]-1,3-thiazole-2-carbohydrazide
CID 63585678
2-N,4-N-bis(2,6-dimethoxyphenyl)pentane-2,4-diimine
CID 102407656
N-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 60672836
4-[[[(1S)-1-(2-methoxyphenyl)ethyl]amino]methyl]-1,3-thiazole-2-carboxylic acid
CID 103257697
N-amino-N'-(4-cyanophenyl)-4-methyl-1,3-thiazole-2-carboximidamide
CID 54272617
4-[(2,6-dimethylphenoxy)methyl]-1,3-thiazole-2-carbohydrazide
CID 55213006
2,6-dimethoxybenzohydrazide
CID 2806104
4-ethyl-1,3-thiazole-2-carboxylic acid
CID 39235458
2-(2,3-dimethoxyphenyl)-4-propyl-1,3-thiazole
CID 145341916
1-(2-amino-3-methoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 107469186
4-[(4-ethylphenoxy)methyl]-1,3-thiazole-2-carbohydrazide
CID 63574785

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-(2,6-dimethoxyphenyl)-4-ethyl-1,3-thiazole-2-carboximidamide?
The IUPAC name of N-amino-N'-(2,6-dimethoxyphenyl)-4-ethyl-1,3-thiazole-2-carboximidamide (CID 134542057) is N-amino-N'-(2,6-dimethoxyphenyl)-4-ethyl-1,3-thiazole-2-carboximidamide.
What is the SMILES notation for N-amino-N'-(2,6-dimethoxyphenyl)-4-ethyl-1,3-thiazole-2-carboximidamide?
The canonical SMILES for N-amino-N'-(2,6-dimethoxyphenyl)-4-ethyl-1,3-thiazole-2-carboximidamide is CCc1csc(/C(=N/c2c(OC)cccc2OC)NN)n1.
What is the InChIKey of N-amino-N'-(2,6-dimethoxyphenyl)-4-ethyl-1,3-thiazole-2-carboximidamide?
The InChIKey is HPERPTOYVAAHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-4-9-8-21-14(16-9)13(18-15)17-12-10(19-2)6-5-7-11(12)20-3/h5-8H,4,15H2,1-3H3,(H,17,18).
What are the key properties of N-amino-N'-(2,6-dimethoxyphenyl)-4-ethyl-1,3-thiazole-2-carboximidamide?
N-amino-N'-(2,6-dimethoxyphenyl)-4-ethyl-1,3-thiazole-2-carboximidamide has a molecular weight of 306.39 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-(2,6-dimethoxyphenyl)-4-ethyl-1,3-thiazole-2-carboximidamide is sourced from PubChem (CID 134542057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).