N-methyl-3-(2-methyl-1H-imidazol-5-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide

C18H20N4OS — CID 118781736

IUPACN-methyl-3-(2-methyl-1H-imidazol-5-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide
SMILESCc1ncc(-c2cccc(C(=O)N(C)CCc3scnc3C)c2)[nH]1
InChIInChI=1S/C18H20N4OS/c1-12-17(24-11-20-12)7-8-22(3)18(23)15-6-4-5-14(9-15)16-10-19-13(2)21-16/h4-6,9-11H,7-8H2,1-3H3,(H,19,21)
InChIKeyQKQJSJJIJYTKRX-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.46
Rot. Bonds5

About N-methyl-3-(2-methyl-1H-imidazol-5-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide

N-methyl-3-(2-methyl-1H-imidazol-5-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide (PubChem CID 118781736) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is N-methyl-3-(2-methyl-1H-imidazol-5-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound NameN-methyl-3-(2-methyl-1H-imidazol-5-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide
PubChem CID118781736
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC NameN-methyl-3-(2-methyl-1H-imidazol-5-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide
SMILESCc1ncc(-c2cccc(C(=O)N(C)CCc3scnc3C)c2)[nH]1
InChIInChI=1S/C18H20N4OS/c1-12-17(24-11-20-12)7-8-22(3)18(23)15-6-4-5-14(9-15)16-10-19-13(2)21-16/h4-6,9-11H,7-8H2,1-3H3,(H,19,21)
InChIKeyQKQJSJJIJYTKRX-UHFFFAOYSA-N
XLogP3.46
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(2-methyl-1H-imidazol-5-yl)phenyl]ethanone
CID 39805487
N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 56738833
N,1-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-phenylpyrrole-2-carboxamide
CID 70748986
1-(4-hydroxycyclohexyl)-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-oxo-3H-benzimidazole-5-carboxamide
CID 70710905
N-methyl-4-(6-methylpyridazin-3-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide
CID 119067344
2-(4-fluorophenyl)-N,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1H-imidazole-4-carboxamide
CID 146038181
2-tert-butyl-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 70729016
2-amino-N,4-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,3-benzothiazole-6-carboxamide
CID 56910295
N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176502332
(3R,4R)-N,1-dimethyl-4-(2-methyl-1H-imidazol-5-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-3-carboxamide
CID 70763061
3,5-dihydroxy-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 104939000
4-carbamothioyl-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 63821276

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(2-methyl-1H-imidazol-5-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide?
The IUPAC name of N-methyl-3-(2-methyl-1H-imidazol-5-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide (CID 118781736) is N-methyl-3-(2-methyl-1H-imidazol-5-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide.
What is the SMILES notation for N-methyl-3-(2-methyl-1H-imidazol-5-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide?
The canonical SMILES for N-methyl-3-(2-methyl-1H-imidazol-5-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide is Cc1ncc(-c2cccc(C(=O)N(C)CCc3scnc3C)c2)[nH]1.
What is the InChIKey of N-methyl-3-(2-methyl-1H-imidazol-5-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide?
The InChIKey is QKQJSJJIJYTKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4OS/c1-12-17(24-11-20-12)7-8-22(3)18(23)15-6-4-5-14(9-15)16-10-19-13(2)21-16/h4-6,9-11H,7-8H2,1-3H3,(H,19,21).
What are the key properties of N-methyl-3-(2-methyl-1H-imidazol-5-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide?
N-methyl-3-(2-methyl-1H-imidazol-5-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide has a molecular weight of 340.45 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(2-methyl-1H-imidazol-5-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 118781736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).