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

C20H18N4OS2 — CID 40718331

IUPACN-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
SMILESC[C@@H](NC(=O)Cc1csc(-c2ccsc2)n1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C20H18N4OS2/c1-14(15-2-4-18(5-3-15)24-8-7-21-13-24)22-19(25)10-17-12-27-20(23-17)16-6-9-26-11-16/h2-9,11-14H,10H2,1H3,(H,22,25)/t14-/m1/s1
InChIKeyKTZWAFSBARKGKD-CQSZACIVSA-N
MW394.53 g/mol
LogP4.48
Rot. Bonds6

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

N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 40718331) has the molecular formula C20H18N4OS2 and a molecular weight of 394.53 g/mol. Its IUPAC name is N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
PubChem CID40718331
Molecular FormulaC20H18N4OS2
Molecular Weight394.53 g/mol
Exact Mass394.09
IUPAC NameN-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
SMILESC[C@@H](NC(=O)Cc1csc(-c2ccsc2)n1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C20H18N4OS2/c1-14(15-2-4-18(5-3-15)24-8-7-21-13-24)22-19(25)10-17-12-27-20(23-17)16-6-9-26-11-16/h2-9,11-14H,10H2,1H3,(H,22,25)/t14-/m1/s1
InChIKeyKTZWAFSBARKGKD-CQSZACIVSA-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-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 41119508
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 46653778
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 40819824
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide
CID 25351863
N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]thiophene-3-carboxamide
CID 27812115
N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 18203960
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-naphthalen-2-ylacetamide
CID 43003584
N-(4-phenylbutan-2-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 18203864
1,3-bis[1-(4-imidazol-1-ylphenyl)ethyl]urea
CID 174999274
N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 25389914
3-(2,5-dioxopyrrolidin-1-yl)-N-[1-(4-imidazol-1-ylphenyl)ethyl]propanamide
CID 18112952
2-cyclopentyl-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide
CID 27811841

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide (CID 40718331) is N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide is C[C@@H](NC(=O)Cc1csc(-c2ccsc2)n1)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is KTZWAFSBARKGKD-CQSZACIVSA-N. The full InChI is InChI=1S/C20H18N4OS2/c1-14(15-2-4-18(5-3-15)24-8-7-21-13-24)22-19(25)10-17-12-27-20(23-17)16-6-9-26-11-16/h2-9,11-14H,10H2,1H3,(H,22,25)/t14-/m1/s1.
What are the key properties of N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide?
N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-thiophen-3-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-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 40718331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).