N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-(4-cyanophenyl)propanamide

C21H18N4O2S — CID 41486929

IUPACN-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-(4-cyanophenyl)propanamide
SMILESCC(=O)Nc1ccc(-c2csc(NC(=O)CCc3ccc(C#N)cc3)n2)cc1
InChIInChI=1S/C21H18N4O2S/c1-14(26)23-18-9-7-17(8-10-18)19-13-28-21(24-19)25-20(27)11-6-15-2-4-16(12-22)5-3-15/h2-5,7-10,13H,6,11H2,1H3,(H,23,26)(H,24,25,27)
InChIKeyQICLIRHIFANFMT-UHFFFAOYSA-N
MW390.47 g/mol
LogP4.21
Rot. Bonds6

About N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-(4-cyanophenyl)propanamide

N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-(4-cyanophenyl)propanamide (PubChem CID 41486929) has the molecular formula C21H18N4O2S and a molecular weight of 390.47 g/mol. Its IUPAC name is N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-(4-cyanophenyl)propanamide.

Molecular Properties

Compound NameN-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-(4-cyanophenyl)propanamide
PubChem CID41486929
Molecular FormulaC21H18N4O2S
Molecular Weight390.47 g/mol
Exact Mass390.12
IUPAC NameN-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-(4-cyanophenyl)propanamide
SMILESCC(=O)Nc1ccc(-c2csc(NC(=O)CCc3ccc(C#N)cc3)n2)cc1
InChIInChI=1S/C21H18N4O2S/c1-14(26)23-18-9-7-17(8-10-18)19-13-28-21(24-19)25-20(27)11-6-15-2-4-16(12-22)5-3-15/h2-5,7-10,13H,6,11H2,1H3,(H,23,26)(H,24,25,27)
InChIKeyQICLIRHIFANFMT-UHFFFAOYSA-N
XLogP4.21
TPSA94.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-methylpentanamide
CID 26893941
N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 8718906
2-cyano-N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]acetamide
CID 146190059
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]hexanamide
CID 18083975
2-(4-acetamidophenyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 46667868
N-[4-[4-(4-amino-3-oxobutyl)phenyl]-1,3-thiazol-2-yl]acetamide
CID 86616168
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-7-aminoheptanamide
CID 119676243
3-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 840341
S-[7-oxo-7-[(4-phenyl-1,3-thiazol-2-yl)amino]heptyl] 3-(4-acetamidophenyl)propanethioate
CID 163270016
3-(4-ethoxyphenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 19226097
3-(4-cyanophenyl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propanamide
CID 37039350
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-oxo-4-phenylbutanamide
CID 52893209

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-(4-cyanophenyl)propanamide?
The IUPAC name of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-(4-cyanophenyl)propanamide (CID 41486929) is N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-(4-cyanophenyl)propanamide.
What is the SMILES notation for N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-(4-cyanophenyl)propanamide?
The canonical SMILES for N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-(4-cyanophenyl)propanamide is CC(=O)Nc1ccc(-c2csc(NC(=O)CCc3ccc(C#N)cc3)n2)cc1.
What is the InChIKey of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-(4-cyanophenyl)propanamide?
The InChIKey is QICLIRHIFANFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2S/c1-14(26)23-18-9-7-17(8-10-18)19-13-28-21(24-19)25-20(27)11-6-15-2-4-16(12-22)5-3-15/h2-5,7-10,13H,6,11H2,1H3,(H,23,26)(H,24,25,27).
What are the key properties of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-(4-cyanophenyl)propanamide?
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-(4-cyanophenyl)propanamide has a molecular weight of 390.47 g/mol, XLogP of 4.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-(4-cyanophenyl)propanamide is sourced from PubChem (CID 41486929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).