N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide

C18H20N4O3S — CID 86912245

IUPACN-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
SMILESCOc1ccccc1C(NC(=O)Cn1c(C)csc1=O)c1nccn1C
InChIInChI=1S/C18H20N4O3S/c1-12-11-26-18(24)22(12)10-15(23)20-16(17-19-8-9-21(17)2)13-6-4-5-7-14(13)25-3/h4-9,11,16H,10H2,1-3H3,(H,20,23)
InChIKeyDOQKLOYCMZTOBH-UHFFFAOYSA-N
MW372.45 g/mol
LogP1.87
Rot. Bonds6

About N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide

N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide (PubChem CID 86912245) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
PubChem CID86912245
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC NameN-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
SMILESCOc1ccccc1C(NC(=O)Cn1c(C)csc1=O)c1nccn1C
InChIInChI=1S/C18H20N4O3S/c1-12-11-26-18(24)22(12)10-15(23)20-16(17-19-8-9-21(17)2)13-6-4-5-7-14(13)25-3/h4-9,11,16H,10H2,1-3H3,(H,20,23)
InChIKeyDOQKLOYCMZTOBH-UHFFFAOYSA-N
XLogP1.87
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-methoxyphenoxy)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 51269439
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-methylphenyl)sulfanylacetamide
CID 51269487
2-(3-hydroxyphenyl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 86865733
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 55453203
2-(3-fluorophenyl)-N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 25389585
2-(4-fluorophenoxy)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 51269495
2-cyclopentyl-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 47014735
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(phenylcarbamoylamino)propanamide
CID 24660525
N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 25388797
3-(carbamoylamino)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-thiophen-2-ylpropanamide
CID 55539932
1,1-diethyl-3-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 110219057
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-nitrophenyl)acetamide
CID 51269428

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The IUPAC name of N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide (CID 86912245) is N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide.
What is the SMILES notation for N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The canonical SMILES for N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide is COc1ccccc1C(NC(=O)Cn1c(C)csc1=O)c1nccn1C.
What is the InChIKey of N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The InChIKey is DOQKLOYCMZTOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S/c1-12-11-26-18(24)22(12)10-15(23)20-16(17-19-8-9-21(17)2)13-6-4-5-7-14(13)25-3/h4-9,11,16H,10H2,1-3H3,(H,20,23).
What are the key properties of N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide has a molecular weight of 372.45 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide is sourced from PubChem (CID 86912245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).