N-methyl-2-(2-phenylimidazol-1-yl)-N-[1-(1,3-thiazol-5-yl)ethyl]acetamide

C17H18N4OS — CID 72916321

IUPACN-methyl-2-(2-phenylimidazol-1-yl)-N-[1-(1,3-thiazol-5-yl)ethyl]acetamide
SMILESCC(c1cncs1)N(C)C(=O)Cn1ccnc1-c1ccccc1
InChIInChI=1S/C17H18N4OS/c1-13(15-10-18-12-23-15)20(2)16(22)11-21-9-8-19-17(21)14-6-4-3-5-7-14/h3-10,12-13H,11H2,1-2H3
InChIKeyDGUCEAMPADEQAO-UHFFFAOYSA-N
MW326.43 g/mol
LogP3.23
Rot. Bonds5

About N-methyl-2-(2-phenylimidazol-1-yl)-N-[1-(1,3-thiazol-5-yl)ethyl]acetamide

N-methyl-2-(2-phenylimidazol-1-yl)-N-[1-(1,3-thiazol-5-yl)ethyl]acetamide (PubChem CID 72916321) has the molecular formula C17H18N4OS and a molecular weight of 326.43 g/mol. Its IUPAC name is N-methyl-2-(2-phenylimidazol-1-yl)-N-[1-(1,3-thiazol-5-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-(2-phenylimidazol-1-yl)-N-[1-(1,3-thiazol-5-yl)ethyl]acetamide
PubChem CID72916321
Molecular FormulaC17H18N4OS
Molecular Weight326.43 g/mol
Exact Mass326.12
IUPAC NameN-methyl-2-(2-phenylimidazol-1-yl)-N-[1-(1,3-thiazol-5-yl)ethyl]acetamide
SMILESCC(c1cncs1)N(C)C(=O)Cn1ccnc1-c1ccccc1
InChIInChI=1S/C17H18N4OS/c1-13(15-10-18-12-23-15)20(2)16(22)11-21-9-8-19-17(21)14-6-4-3-5-7-14/h3-10,12-13H,11H2,1-2H3
InChIKeyDGUCEAMPADEQAO-UHFFFAOYSA-N
XLogP3.23
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-2-(2-pyridin-3-ylimidazol-1-yl)acetamide
CID 155915500
2-(2-phenylimidazol-1-yl)acetic acid
CID 3145945
N-(2-cyanoethyl)-N-methyl-2-(2-phenylimidazol-1-yl)acetamide
CID 61069381
2-(2-phenylimidazol-1-yl)acetate
CID 7446830
1-phenyl-2-(2-phenylimidazol-1-yl)ethanone
CID 61069382
1-(2-phenylimidazol-1-yl)propan-2-ol
CID 58743625
N-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 70767354
N-methyl-N,2-diphenylimidazole-1-carboxamide
CID 66682187
2-ethoxy-3-(2-phenylimidazol-1-yl)propanoic acid
CID 63075138
2-(2-phenylimidazol-1-yl)-N-[(R)-phenyl(pyridin-3-yl)methyl]acetamide
CID 51492898
2-(2-phenylimidazol-1-yl)ethanethioamide
CID 61069936
3-(2-phenylimidazol-1-yl)butanoic acid
CID 53211630

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-phenylimidazol-1-yl)-N-[1-(1,3-thiazol-5-yl)ethyl]acetamide?
The IUPAC name of N-methyl-2-(2-phenylimidazol-1-yl)-N-[1-(1,3-thiazol-5-yl)ethyl]acetamide (CID 72916321) is N-methyl-2-(2-phenylimidazol-1-yl)-N-[1-(1,3-thiazol-5-yl)ethyl]acetamide.
What is the SMILES notation for N-methyl-2-(2-phenylimidazol-1-yl)-N-[1-(1,3-thiazol-5-yl)ethyl]acetamide?
The canonical SMILES for N-methyl-2-(2-phenylimidazol-1-yl)-N-[1-(1,3-thiazol-5-yl)ethyl]acetamide is CC(c1cncs1)N(C)C(=O)Cn1ccnc1-c1ccccc1.
What is the InChIKey of N-methyl-2-(2-phenylimidazol-1-yl)-N-[1-(1,3-thiazol-5-yl)ethyl]acetamide?
The InChIKey is DGUCEAMPADEQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS/c1-13(15-10-18-12-23-15)20(2)16(22)11-21-9-8-19-17(21)14-6-4-3-5-7-14/h3-10,12-13H,11H2,1-2H3.
What are the key properties of N-methyl-2-(2-phenylimidazol-1-yl)-N-[1-(1,3-thiazol-5-yl)ethyl]acetamide?
N-methyl-2-(2-phenylimidazol-1-yl)-N-[1-(1,3-thiazol-5-yl)ethyl]acetamide has a molecular weight of 326.43 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-phenylimidazol-1-yl)-N-[1-(1,3-thiazol-5-yl)ethyl]acetamide is sourced from PubChem (CID 72916321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).