N-[4-[1-(1,3-thiazol-2-ylmethyl)imidazol-2-yl]phenyl]acetamide

C15H14N4OS — CID 70732819

IUPACN-[4-[1-(1,3-thiazol-2-ylmethyl)imidazol-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2nccn2Cc2nccs2)cc1
InChIInChI=1S/C15H14N4OS/c1-11(20)18-13-4-2-12(3-5-13)15-17-6-8-19(15)10-14-16-7-9-21-14/h2-9H,10H2,1H3,(H,18,20)
InChIKeyOPCWYVSHJFIQAP-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.01
Rot. Bonds4

About N-[4-[1-(1,3-thiazol-2-ylmethyl)imidazol-2-yl]phenyl]acetamide

N-[4-[1-(1,3-thiazol-2-ylmethyl)imidazol-2-yl]phenyl]acetamide (PubChem CID 70732819) has the molecular formula C15H14N4OS and a molecular weight of 298.37 g/mol. Its IUPAC name is N-[4-[1-(1,3-thiazol-2-ylmethyl)imidazol-2-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[1-(1,3-thiazol-2-ylmethyl)imidazol-2-yl]phenyl]acetamide
PubChem CID70732819
Molecular FormulaC15H14N4OS
Molecular Weight298.37 g/mol
Exact Mass298.09
IUPAC NameN-[4-[1-(1,3-thiazol-2-ylmethyl)imidazol-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2nccn2Cc2nccs2)cc1
InChIInChI=1S/C15H14N4OS/c1-11(20)18-13-4-2-12(3-5-13)15-17-6-8-19(15)10-14-16-7-9-21-14/h2-9H,10H2,1H3,(H,18,20)
InChIKeyOPCWYVSHJFIQAP-UHFFFAOYSA-N
XLogP3.01
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(1-benzylimidazol-2-yl)phenyl]acetamide
CID 82559363
N-[4-[1-(2-aminoethyl)imidazol-2-yl]phenyl]acetamide
CID 82559349
N-[4-(1,3-thiazol-2-ylmethylamino)phenyl]acetamide
CID 63655785
N-[4-[1-[(4-sulfamoylphenyl)methyl]imidazol-2-yl]phenyl]acetamide
CID 56869896
N-[4-[1-(1,3-benzodioxol-5-ylmethyl)imidazol-2-yl]phenyl]acetamide
CID 56748652
N-[4-[1-[2-(2-oxopyrrolidin-1-yl)ethyl]imidazol-2-yl]phenyl]acetamide
CID 56867925
4-acetamido-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 110445281
N-(4-methylphenyl)-2-[2-oxo-2-[4-(1,3-thiazol-2-yl)anilino]ethyl]sulfanylacetamide
CID 27701903
ethyl 2-oxo-2-[4-(1,3-thiazol-2-yl)anilino]acetate
CID 110289998
N-[4-(1,3-thiazol-2-ylcarbamoylamino)phenyl]acetamide
CID 47148362
4-[[2-(3-acetamidophenyl)imidazol-1-yl]methyl]benzoic acid
CID 82559468
N-[4-[1-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]imidazol-2-yl]phenyl]acetamide
CID 56869558

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(1,3-thiazol-2-ylmethyl)imidazol-2-yl]phenyl]acetamide?
The IUPAC name of N-[4-[1-(1,3-thiazol-2-ylmethyl)imidazol-2-yl]phenyl]acetamide (CID 70732819) is N-[4-[1-(1,3-thiazol-2-ylmethyl)imidazol-2-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[1-(1,3-thiazol-2-ylmethyl)imidazol-2-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[1-(1,3-thiazol-2-ylmethyl)imidazol-2-yl]phenyl]acetamide is CC(=O)Nc1ccc(-c2nccn2Cc2nccs2)cc1.
What is the InChIKey of N-[4-[1-(1,3-thiazol-2-ylmethyl)imidazol-2-yl]phenyl]acetamide?
The InChIKey is OPCWYVSHJFIQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4OS/c1-11(20)18-13-4-2-12(3-5-13)15-17-6-8-19(15)10-14-16-7-9-21-14/h2-9H,10H2,1H3,(H,18,20).
What are the key properties of N-[4-[1-(1,3-thiazol-2-ylmethyl)imidazol-2-yl]phenyl]acetamide?
N-[4-[1-(1,3-thiazol-2-ylmethyl)imidazol-2-yl]phenyl]acetamide has a molecular weight of 298.37 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(1,3-thiazol-2-ylmethyl)imidazol-2-yl]phenyl]acetamide is sourced from PubChem (CID 70732819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).