N-(1-aminoethylidene)-4-phenyl-2-[(2-phenylacetyl)amino]-1,3-thiazole-5-carboxamide

C20H18N4O2S — CID 163703702

IUPACN-(1-aminoethylidene)-4-phenyl-2-[(2-phenylacetyl)amino]-1,3-thiazole-5-carboxamide
SMILESC/C(N)=N\C(=O)c1sc(NC(=O)Cc2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C20H18N4O2S/c1-13(21)22-19(26)18-17(15-10-6-3-7-11-15)24-20(27-18)23-16(25)12-14-8-4-2-5-9-14/h2-11H,12H2,1H3,(H2,21,22,26)(H,23,24,25)
InChIKeyKDFHHPRDBIXBPI-UHFFFAOYSA-N
MW378.46 g/mol
LogP3.51
Rot. Bonds5

About N-(1-aminoethylidene)-4-phenyl-2-[(2-phenylacetyl)amino]-1,3-thiazole-5-carboxamide

N-(1-aminoethylidene)-4-phenyl-2-[(2-phenylacetyl)amino]-1,3-thiazole-5-carboxamide (PubChem CID 163703702) has the molecular formula C20H18N4O2S and a molecular weight of 378.46 g/mol. Its IUPAC name is N-(1-aminoethylidene)-4-phenyl-2-[(2-phenylacetyl)amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-aminoethylidene)-4-phenyl-2-[(2-phenylacetyl)amino]-1,3-thiazole-5-carboxamide
PubChem CID163703702
Molecular FormulaC20H18N4O2S
Molecular Weight378.46 g/mol
Exact Mass378.12
IUPAC NameN-(1-aminoethylidene)-4-phenyl-2-[(2-phenylacetyl)amino]-1,3-thiazole-5-carboxamide
SMILESC/C(N)=N\C(=O)c1sc(NC(=O)Cc2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C20H18N4O2S/c1-13(21)22-19(26)18-17(15-10-6-3-7-11-15)24-20(27-18)23-16(25)12-14-8-4-2-5-9-14/h2-11H,12H2,1H3,(H2,21,22,26)(H,23,24,25)
InChIKeyKDFHHPRDBIXBPI-UHFFFAOYSA-N
XLogP3.51
TPSA97.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-4-phenyl-2-[(2-phenylacetyl)amino]-1,3-thiazole-5-carboxamide
CID 58121042
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-bromophenyl)acetamide
CID 26196726
N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide
CID 19183929
ethyl 2-[[2-(4-methylphenyl)acetyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate
CID 16566775
ethyl 2-[[2-(4-fluorophenyl)acetyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate
CID 7597186
ethyl 4-phenyl-2-[[2-(4-propan-2-ylsulfanylphenyl)acetyl]amino]-1,3-thiazole-5-carboxylate
CID 16838736
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-methylbutanamide
CID 31288202
4-methyl-2-[(2-phenylacetyl)amino]-1,3-thiazole-5-carboxylic acid
CID 28803701
[5-[2-(carboxyamino)-4-phenyl-1,3-thiazole-5-carbonyl]-4-phenyl-1,3-thiazol-2-yl]carbamic acid
CID 87663118
N,N'-bis(5-methyl-4-phenyl-1,3-thiazol-2-yl)butanediamide
CID 3493678
ethyl 2-[[2-(2,3,4,5,6-pentafluorophenyl)acetyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate
CID 16575050
2-(4-bromophenyl)-N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)acetamide
CID 5227913

Frequently Asked Questions

What is the IUPAC name of N-(1-aminoethylidene)-4-phenyl-2-[(2-phenylacetyl)amino]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(1-aminoethylidene)-4-phenyl-2-[(2-phenylacetyl)amino]-1,3-thiazole-5-carboxamide (CID 163703702) is N-(1-aminoethylidene)-4-phenyl-2-[(2-phenylacetyl)amino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(1-aminoethylidene)-4-phenyl-2-[(2-phenylacetyl)amino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(1-aminoethylidene)-4-phenyl-2-[(2-phenylacetyl)amino]-1,3-thiazole-5-carboxamide is C/C(N)=N\C(=O)c1sc(NC(=O)Cc2ccccc2)nc1-c1ccccc1.
What is the InChIKey of N-(1-aminoethylidene)-4-phenyl-2-[(2-phenylacetyl)amino]-1,3-thiazole-5-carboxamide?
The InChIKey is KDFHHPRDBIXBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2S/c1-13(21)22-19(26)18-17(15-10-6-3-7-11-15)24-20(27-18)23-16(25)12-14-8-4-2-5-9-14/h2-11H,12H2,1H3,(H2,21,22,26)(H,23,24,25).
What are the key properties of N-(1-aminoethylidene)-4-phenyl-2-[(2-phenylacetyl)amino]-1,3-thiazole-5-carboxamide?
N-(1-aminoethylidene)-4-phenyl-2-[(2-phenylacetyl)amino]-1,3-thiazole-5-carboxamide has a molecular weight of 378.46 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminoethylidene)-4-phenyl-2-[(2-phenylacetyl)amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 163703702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).