N-(5-benzyl-1,3-thiazol-2-yl)-2-(4-cyanoanilino)acetamide

C19H16N4OS — CID 51111804

IUPACN-(5-benzyl-1,3-thiazol-2-yl)-2-(4-cyanoanilino)acetamide
SMILESN#Cc1ccc(NCC(=O)Nc2ncc(Cc3ccccc3)s2)cc1
InChIInChI=1S/C19H16N4OS/c20-11-15-6-8-16(9-7-15)21-13-18(24)23-19-22-12-17(25-19)10-14-4-2-1-3-5-14/h1-9,12,21H,10,13H2,(H,22,23,24)
InChIKeySXMSXODDJUYLBO-UHFFFAOYSA-N
MW348.43 g/mol
LogP3.66
Rot. Bonds6

About N-(5-benzyl-1,3-thiazol-2-yl)-2-(4-cyanoanilino)acetamide

N-(5-benzyl-1,3-thiazol-2-yl)-2-(4-cyanoanilino)acetamide (PubChem CID 51111804) has the molecular formula C19H16N4OS and a molecular weight of 348.43 g/mol. Its IUPAC name is N-(5-benzyl-1,3-thiazol-2-yl)-2-(4-cyanoanilino)acetamide.

Molecular Properties

Compound NameN-(5-benzyl-1,3-thiazol-2-yl)-2-(4-cyanoanilino)acetamide
PubChem CID51111804
Molecular FormulaC19H16N4OS
Molecular Weight348.43 g/mol
Exact Mass348.10
IUPAC NameN-(5-benzyl-1,3-thiazol-2-yl)-2-(4-cyanoanilino)acetamide
SMILESN#Cc1ccc(NCC(=O)Nc2ncc(Cc3ccccc3)s2)cc1
InChIInChI=1S/C19H16N4OS/c20-11-15-6-8-16(9-7-15)21-13-18(24)23-19-22-12-17(25-19)10-14-4-2-1-3-5-14/h1-9,12,21H,10,13H2,(H,22,23,24)
InChIKeySXMSXODDJUYLBO-UHFFFAOYSA-N
XLogP3.66
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-benzyl-1,3-thiazol-2-yl)-2-(4-propan-2-ylanilino)acetamide
CID 7454424
N-(5-benzyl-1,3-thiazol-2-yl)-2-(2,6-dimethylanilino)acetamide
CID 2240018
4-[(5-benzyl-1,3-thiazol-2-yl)amino]-4-oxobutanoic acid
CID 27407164
2-(4-fluoroanilino)-N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 2239908
2-(4-butylanilino)-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 2240008
2-[2-[(5-benzyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
CID 31484325
N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-3-methylbenzamide
CID 86920236
N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-oxopiperidin-1-yl)acetamide
CID 78869353
N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-3-methyl-2-(phenylcarbamoylamino)butanamide
CID 78843723
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-methoxyanilino)acetamide
CID 2239682
1-benzyl-N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 78883708
N-[5-[(3-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-(3-methylanilino)acetamide
CID 7454421

Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-1,3-thiazol-2-yl)-2-(4-cyanoanilino)acetamide?
The IUPAC name of N-(5-benzyl-1,3-thiazol-2-yl)-2-(4-cyanoanilino)acetamide (CID 51111804) is N-(5-benzyl-1,3-thiazol-2-yl)-2-(4-cyanoanilino)acetamide.
What is the SMILES notation for N-(5-benzyl-1,3-thiazol-2-yl)-2-(4-cyanoanilino)acetamide?
The canonical SMILES for N-(5-benzyl-1,3-thiazol-2-yl)-2-(4-cyanoanilino)acetamide is N#Cc1ccc(NCC(=O)Nc2ncc(Cc3ccccc3)s2)cc1.
What is the InChIKey of N-(5-benzyl-1,3-thiazol-2-yl)-2-(4-cyanoanilino)acetamide?
The InChIKey is SXMSXODDJUYLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4OS/c20-11-15-6-8-16(9-7-15)21-13-18(24)23-19-22-12-17(25-19)10-14-4-2-1-3-5-14/h1-9,12,21H,10,13H2,(H,22,23,24).
What are the key properties of N-(5-benzyl-1,3-thiazol-2-yl)-2-(4-cyanoanilino)acetamide?
N-(5-benzyl-1,3-thiazol-2-yl)-2-(4-cyanoanilino)acetamide has a molecular weight of 348.43 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-1,3-thiazol-2-yl)-2-(4-cyanoanilino)acetamide is sourced from PubChem (CID 51111804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).