N-[5-(1-methylimidazol-4-yl)-4-phenyl-1,3-thiazol-2-yl]-2-phenylacetamide

C21H18N4OS — CID 174530805

IUPACN-[5-(1-methylimidazol-4-yl)-4-phenyl-1,3-thiazol-2-yl]-2-phenylacetamide
SMILESCn1cnc(-c2sc(NC(=O)Cc3ccccc3)nc2-c2ccccc2)c1
InChIInChI=1S/C21H18N4OS/c1-25-13-17(22-14-25)20-19(16-10-6-3-7-11-16)24-21(27-20)23-18(26)12-15-8-4-2-5-9-15/h2-11,13-14H,12H2,1H3,(H,23,24,26)
InChIKeyPPBDJUMHNZLWCD-UHFFFAOYSA-N
MW374.47 g/mol
LogP4.39
Rot. Bonds5

About N-[5-(1-methylimidazol-4-yl)-4-phenyl-1,3-thiazol-2-yl]-2-phenylacetamide

N-[5-(1-methylimidazol-4-yl)-4-phenyl-1,3-thiazol-2-yl]-2-phenylacetamide (PubChem CID 174530805) has the molecular formula C21H18N4OS and a molecular weight of 374.47 g/mol. Its IUPAC name is N-[5-(1-methylimidazol-4-yl)-4-phenyl-1,3-thiazol-2-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[5-(1-methylimidazol-4-yl)-4-phenyl-1,3-thiazol-2-yl]-2-phenylacetamide
PubChem CID174530805
Molecular FormulaC21H18N4OS
Molecular Weight374.47 g/mol
Exact Mass374.12
IUPAC NameN-[5-(1-methylimidazol-4-yl)-4-phenyl-1,3-thiazol-2-yl]-2-phenylacetamide
SMILESCn1cnc(-c2sc(NC(=O)Cc3ccccc3)nc2-c2ccccc2)c1
InChIInChI=1S/C21H18N4OS/c1-25-13-17(22-14-25)20-19(16-10-6-3-7-11-16)24-21(27-20)23-18(26)12-15-8-4-2-5-9-15/h2-11,13-14H,12H2,1H3,(H,23,24,26)
InChIKeyPPBDJUMHNZLWCD-UHFFFAOYSA-N
XLogP4.39
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(1-methylimidazol-4-yl)-4-phenyl-1,3-thiazol-2-yl]carbamic acid
CID 175254870
2-cyclopentyl-N-[5-(1-methylimidazol-4-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide
CID 174545041
N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide
CID 19183929
N-hydroxy-4-phenyl-2-[(2-phenylacetyl)amino]-1,3-thiazole-5-carboxamide
CID 58121042
2-(3-methoxyphenyl)-N-[4-phenyl-5-[2-(2-phenylethyl)tetrazol-5-yl]-1,3-thiazol-2-yl]acetamide
CID 11648940
N-(4,5-diphenyl-1,3-thiazol-2-yl)butanamide
CID 4099246
N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-naphthalen-1-ylacetamide
CID 55516485
2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide
CID 55517443
N-[5-(6-oxo-1-propan-2-ylpyridazin-3-yl)-4-phenyl-1,3-thiazol-2-yl]-2-phenoxyacetamide
CID 87947426
N-(1-aminoethylidene)-4-phenyl-2-[(2-phenylacetyl)amino]-1,3-thiazole-5-carboxamide
CID 163703702
N-[4-phenyl-5-(2-propyltetrazol-5-yl)-1,3-thiazol-2-yl]propanamide
CID 11566340
2-(dimethylamino)-N-[5-(6-oxo-1-propan-2-ylpyridazin-3-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide
CID 87947563

Frequently Asked Questions

What is the IUPAC name of N-[5-(1-methylimidazol-4-yl)-4-phenyl-1,3-thiazol-2-yl]-2-phenylacetamide?
The IUPAC name of N-[5-(1-methylimidazol-4-yl)-4-phenyl-1,3-thiazol-2-yl]-2-phenylacetamide (CID 174530805) is N-[5-(1-methylimidazol-4-yl)-4-phenyl-1,3-thiazol-2-yl]-2-phenylacetamide.
What is the SMILES notation for N-[5-(1-methylimidazol-4-yl)-4-phenyl-1,3-thiazol-2-yl]-2-phenylacetamide?
The canonical SMILES for N-[5-(1-methylimidazol-4-yl)-4-phenyl-1,3-thiazol-2-yl]-2-phenylacetamide is Cn1cnc(-c2sc(NC(=O)Cc3ccccc3)nc2-c2ccccc2)c1.
What is the InChIKey of N-[5-(1-methylimidazol-4-yl)-4-phenyl-1,3-thiazol-2-yl]-2-phenylacetamide?
The InChIKey is PPBDJUMHNZLWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4OS/c1-25-13-17(22-14-25)20-19(16-10-6-3-7-11-16)24-21(27-20)23-18(26)12-15-8-4-2-5-9-15/h2-11,13-14H,12H2,1H3,(H,23,24,26).
What are the key properties of N-[5-(1-methylimidazol-4-yl)-4-phenyl-1,3-thiazol-2-yl]-2-phenylacetamide?
N-[5-(1-methylimidazol-4-yl)-4-phenyl-1,3-thiazol-2-yl]-2-phenylacetamide has a molecular weight of 374.47 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-methylimidazol-4-yl)-4-phenyl-1,3-thiazol-2-yl]-2-phenylacetamide is sourced from PubChem (CID 174530805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).