N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide

C20H18N4OS2 — CID 46653778

IUPACN-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
SMILESCC(NC(=O)Cc1csc(-c2cccs2)n1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C20H18N4OS2/c1-14(15-4-6-17(7-5-15)24-9-8-21-13-24)22-19(25)11-16-12-27-20(23-16)18-3-2-10-26-18/h2-10,12-14H,11H2,1H3,(H,22,25)
InChIKeyXHWCGWLHKQFUIN-UHFFFAOYSA-N
MW394.53 g/mol
LogP4.48
Rot. Bonds6

About N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide

N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 46653778) has the molecular formula C20H18N4OS2 and a molecular weight of 394.53 g/mol. Its IUPAC name is N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
PubChem CID46653778
Molecular FormulaC20H18N4OS2
Molecular Weight394.53 g/mol
Exact Mass394.09
IUPAC NameN-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
SMILESCC(NC(=O)Cc1csc(-c2cccs2)n1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C20H18N4OS2/c1-14(15-4-6-17(7-5-15)24-9-8-21-13-24)22-19(25)11-16-12-27-20(23-16)18-3-2-10-26-18/h2-10,12-14H,11H2,1H3,(H,22,25)
InChIKeyXHWCGWLHKQFUIN-UHFFFAOYSA-N
XLogP4.48
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.53
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 40718331
N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 41119508
2-(2-thiophen-2-yl-1,3-thiazol-4-yl)-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 25490801
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
CID 17469446
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide
CID 25351863
N-[1-(4-imidazol-1-ylphenyl)ethyl]-3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide
CID 17471969
N-[1-(4-imidazol-1-ylphenyl)ethyl]thiophene-2-carboxamide
CID 4787429
2-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
CID 43170823
(3R)-3-acetamido-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-thiophen-2-ylpropanamide
CID 29430333
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-naphthalen-2-ylacetamide
CID 43003584
N-(5-methylhexan-2-yl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 18197973
N-(4-hydroxybutan-2-yl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 81048947

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide (CID 46653778) is N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide is CC(NC(=O)Cc1csc(-c2cccs2)n1)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is XHWCGWLHKQFUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4OS2/c1-14(15-4-6-17(7-5-15)24-9-8-21-13-24)22-19(25)11-16-12-27-20(23-16)18-3-2-10-26-18/h2-10,12-14H,11H2,1H3,(H,22,25).
What are the key properties of N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide?
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 394.53 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 46653778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).