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

C20H17FN4OS2 — CID 46647780

IUPACN-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
SMILESCn1ccnc1C(NC(=O)Cc1csc(-c2cccs2)n1)c1cccc(F)c1
InChIInChI=1S/C20H17FN4OS2/c1-25-8-7-22-19(25)18(13-4-2-5-14(21)10-13)24-17(26)11-15-12-28-20(23-15)16-6-3-9-27-16/h2-10,12,18H,11H2,1H3,(H,24,26)
InChIKeyQALTUZGOIOQFIV-UHFFFAOYSA-N
MW412.52 g/mol
LogP4.19
Rot. Bonds6

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

N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 46647780) has the molecular formula C20H17FN4OS2 and a molecular weight of 412.52 g/mol. Its IUPAC name is N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
PubChem CID46647780
Molecular FormulaC20H17FN4OS2
Molecular Weight412.52 g/mol
Exact Mass412.08
IUPAC NameN-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
SMILESCn1ccnc1C(NC(=O)Cc1csc(-c2cccs2)n1)c1cccc(F)c1
InChIInChI=1S/C20H17FN4OS2/c1-25-8-7-22-19(25)18(13-4-2-5-14(21)10-13)24-17(26)11-15-12-28-20(23-15)16-6-3-9-27-16/h2-10,12,18H,11H2,1H3,(H,24,26)
InChIKeyQALTUZGOIOQFIV-UHFFFAOYSA-N
XLogP4.19
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-chlorophenyl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 17403799
2-(3-fluorophenoxy)-N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 25351909
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-methoxyphenoxy)acetamide
CID 46528259
2-(3-fluorophenyl)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 40952505
2-(2,4-dimethoxyphenyl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 46528435
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]thiophene-3-carboxamide
CID 47014692
N-[(1-methylimidazol-2-yl)-(3-methylphenyl)methyl]-2-thiophen-2-ylacetamide
CID 110440374
N-[(3,4-difluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(3-fluorophenyl)acetamide
CID 16675064
N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 25389914
N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-pyridin-3-yloxyacetamide
CID 94809705
2-(4-chlorophenoxy)-N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 40953006
N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]cyclopropanecarboxamide
CID 25341762

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide (CID 46647780) is N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide is Cn1ccnc1C(NC(=O)Cc1csc(-c2cccs2)n1)c1cccc(F)c1.
What is the InChIKey of N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is QALTUZGOIOQFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4OS2/c1-25-8-7-22-19(25)18(13-4-2-5-14(21)10-13)24-17(26)11-15-12-28-20(23-15)16-6-3-9-27-16/h2-10,12,18H,11H2,1H3,(H,24,26).
What are the key properties of N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide?
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 412.52 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 46647780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).