N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(4-methoxyphenyl)imidazole-4-carboxamide

C17H18N4O2S — CID 100816237

IUPACN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(4-methoxyphenyl)imidazole-4-carboxamide
SMILESCCc1nc(CNC(=O)c2cn(-c3ccc(OC)cc3)cn2)cs1
InChIInChI=1S/C17H18N4O2S/c1-3-16-20-12(10-24-16)8-18-17(22)15-9-21(11-19-15)13-4-6-14(23-2)7-5-13/h4-7,9-11H,3,8H2,1-2H3,(H,18,22)
InChIKeyCNBSZWVXJSIRJX-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.83
Rot. Bonds6

About N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(4-methoxyphenyl)imidazole-4-carboxamide

N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(4-methoxyphenyl)imidazole-4-carboxamide (PubChem CID 100816237) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(4-methoxyphenyl)imidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(4-methoxyphenyl)imidazole-4-carboxamide
PubChem CID100816237
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC NameN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(4-methoxyphenyl)imidazole-4-carboxamide
SMILESCCc1nc(CNC(=O)c2cn(-c3ccc(OC)cc3)cn2)cs1
InChIInChI=1S/C17H18N4O2S/c1-3-16-20-12(10-24-16)8-18-17(22)15-9-21(11-19-15)13-4-6-14(23-2)7-5-13/h4-7,9-11H,3,8H2,1-2H3,(H,18,22)
InChIKeyCNBSZWVXJSIRJX-UHFFFAOYSA-N
XLogP2.83
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-amino-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide;dihydrochloride
CID 119999255
1-(4-methoxyphenyl)-N-(5-methyl-2-pyridinyl)imidazole-4-carboxamide
CID 100816353
N-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]-1,3-thiazole-4-carboxamide
CID 71972435
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-[2-(4-methoxyphenyl)ethyl]-6-oxopiperidine-3-carboxamide
CID 24790291
N-benzyl-1-(4-methylphenyl)imidazole-4-carboxamide
CID 100825109
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1,5-dimethylpyrrole-2-carboxamide
CID 131926202
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-(1-phenylpyrazol-3-yl)oxyacetamide
CID 100820000
3-amino-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrazine-2-carboxamide
CID 119125701
3-[1-(4-methoxyphenyl)imidazol-4-yl]propanoic acid
CID 82479273
1-(4-fluorophenyl)-N-[3-(3-methoxyphenyl)propyl]imidazole-4-carboxamide
CID 171132837
1-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[2-(4-methoxyphenoxy)ethyl]-2-methylguanidine;hydroiodide
CID 111410174
2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 110450950

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(4-methoxyphenyl)imidazole-4-carboxamide?
The IUPAC name of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(4-methoxyphenyl)imidazole-4-carboxamide (CID 100816237) is N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(4-methoxyphenyl)imidazole-4-carboxamide.
What is the SMILES notation for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(4-methoxyphenyl)imidazole-4-carboxamide?
The canonical SMILES for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(4-methoxyphenyl)imidazole-4-carboxamide is CCc1nc(CNC(=O)c2cn(-c3ccc(OC)cc3)cn2)cs1.
What is the InChIKey of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(4-methoxyphenyl)imidazole-4-carboxamide?
The InChIKey is CNBSZWVXJSIRJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-3-16-20-12(10-24-16)8-18-17(22)15-9-21(11-19-15)13-4-6-14(23-2)7-5-13/h4-7,9-11H,3,8H2,1-2H3,(H,18,22).
What are the key properties of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(4-methoxyphenyl)imidazole-4-carboxamide?
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(4-methoxyphenyl)imidazole-4-carboxamide has a molecular weight of 342.42 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(4-methoxyphenyl)imidazole-4-carboxamide is sourced from PubChem (CID 100816237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).