N-[6-(4,5-dimethylimidazol-1-yl)-3-pyridinyl]-2-(ethoxymethyl)-1,3-thiazole-4-carboxamide

C17H19N5O2S — CID 166305109

IUPACN-[6-(4,5-dimethylimidazol-1-yl)-3-pyridinyl]-2-(ethoxymethyl)-1,3-thiazole-4-carboxamide
SMILESCCOCc1nc(C(=O)Nc2ccc(-n3cnc(C)c3C)nc2)cs1
InChIInChI=1S/C17H19N5O2S/c1-4-24-8-16-21-14(9-25-16)17(23)20-13-5-6-15(18-7-13)22-10-19-11(2)12(22)3/h5-7,9-10H,4,8H2,1-3H3,(H,20,23)
InChIKeyZDSDHLWZNNQIOO-UHFFFAOYSA-N
MW357.44 g/mol
LogP3.13
Rot. Bonds6

About N-[6-(4,5-dimethylimidazol-1-yl)-3-pyridinyl]-2-(ethoxymethyl)-1,3-thiazole-4-carboxamide

N-[6-(4,5-dimethylimidazol-1-yl)-3-pyridinyl]-2-(ethoxymethyl)-1,3-thiazole-4-carboxamide (PubChem CID 166305109) has the molecular formula C17H19N5O2S and a molecular weight of 357.44 g/mol. Its IUPAC name is N-[6-(4,5-dimethylimidazol-1-yl)-3-pyridinyl]-2-(ethoxymethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[6-(4,5-dimethylimidazol-1-yl)-3-pyridinyl]-2-(ethoxymethyl)-1,3-thiazole-4-carboxamide
PubChem CID166305109
Molecular FormulaC17H19N5O2S
Molecular Weight357.44 g/mol
Exact Mass357.13
IUPAC NameN-[6-(4,5-dimethylimidazol-1-yl)-3-pyridinyl]-2-(ethoxymethyl)-1,3-thiazole-4-carboxamide
SMILESCCOCc1nc(C(=O)Nc2ccc(-n3cnc(C)c3C)nc2)cs1
InChIInChI=1S/C17H19N5O2S/c1-4-24-8-16-21-14(9-25-16)17(23)20-13-5-6-15(18-7-13)22-10-19-11(2)12(22)3/h5-7,9-10H,4,8H2,1-3H3,(H,20,23)
InChIKeyZDSDHLWZNNQIOO-UHFFFAOYSA-N
XLogP3.13
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(aminomethyl)-N-[6-(4,5-dimethylimidazol-1-yl)-3-pyridinyl]-1,3-thiazole-4-carboxamide
CID 166340616
2-(aminomethyl)-N-[6-(diethylamino)-3-pyridinyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119845933
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-5-ethoxypyrazine-2-carboxamide
CID 166215462
2-(aminomethyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119839710
2-(aminomethyl)-N-[6-(2-methoxyethoxy)-3-pyridinyl]-1,3-thiazole-4-carboxamide
CID 66376658
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-(methoxymethyl)-1,3-thiazole-5-carboxamide
CID 166215738
N-phenyl-2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 46003146
2-(methoxymethyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1,3-thiazole-4-carboxamide
CID 48595046
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-ethoxy-1H-pyrazole-5-carboxamide
CID 166327015
2-[(4-methylphenoxy)methyl]-N-(4-methylsulfanylphenyl)-1,3-thiazole-4-carboxamide
CID 24529648
2-[(4-methoxyphenoxy)methyl]-N-phenyl-1,3-thiazole-4-carboxamide
CID 24712411
2-(aminomethyl)-N-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119707103

Frequently Asked Questions

What is the IUPAC name of N-[6-(4,5-dimethylimidazol-1-yl)-3-pyridinyl]-2-(ethoxymethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[6-(4,5-dimethylimidazol-1-yl)-3-pyridinyl]-2-(ethoxymethyl)-1,3-thiazole-4-carboxamide (CID 166305109) is N-[6-(4,5-dimethylimidazol-1-yl)-3-pyridinyl]-2-(ethoxymethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[6-(4,5-dimethylimidazol-1-yl)-3-pyridinyl]-2-(ethoxymethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[6-(4,5-dimethylimidazol-1-yl)-3-pyridinyl]-2-(ethoxymethyl)-1,3-thiazole-4-carboxamide is CCOCc1nc(C(=O)Nc2ccc(-n3cnc(C)c3C)nc2)cs1.
What is the InChIKey of N-[6-(4,5-dimethylimidazol-1-yl)-3-pyridinyl]-2-(ethoxymethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is ZDSDHLWZNNQIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2S/c1-4-24-8-16-21-14(9-25-16)17(23)20-13-5-6-15(18-7-13)22-10-19-11(2)12(22)3/h5-7,9-10H,4,8H2,1-3H3,(H,20,23).
What are the key properties of N-[6-(4,5-dimethylimidazol-1-yl)-3-pyridinyl]-2-(ethoxymethyl)-1,3-thiazole-4-carboxamide?
N-[6-(4,5-dimethylimidazol-1-yl)-3-pyridinyl]-2-(ethoxymethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 357.44 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4,5-dimethylimidazol-1-yl)-3-pyridinyl]-2-(ethoxymethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 166305109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).