N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-3-[4-(dimethylamino)phenyl]propanamide

C21H24N4O2S2 — CID 24555636

IUPACN-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-3-[4-(dimethylamino)phenyl]propanamide
SMILESCC(=O)NCc1ccc(-c2csc(NC(=O)CCc3ccc(N(C)C)cc3)n2)s1
InChIInChI=1S/C21H24N4O2S2/c1-14(26)22-12-17-9-10-19(29-17)18-13-28-21(23-18)24-20(27)11-6-15-4-7-16(8-5-15)25(2)3/h4-5,7-10,13H,6,11-12H2,1-3H3,(H,22,26)(H,23,24,27)
InChIKeyOYOJUTPJUXTVTG-UHFFFAOYSA-N
MW428.58 g/mol
LogP4.14
Rot. Bonds8

About N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-3-[4-(dimethylamino)phenyl]propanamide

N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-3-[4-(dimethylamino)phenyl]propanamide (PubChem CID 24555636) has the molecular formula C21H24N4O2S2 and a molecular weight of 428.58 g/mol. Its IUPAC name is N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-3-[4-(dimethylamino)phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-3-[4-(dimethylamino)phenyl]propanamide
PubChem CID24555636
Molecular FormulaC21H24N4O2S2
Molecular Weight428.58 g/mol
Exact Mass428.13
IUPAC NameN-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-3-[4-(dimethylamino)phenyl]propanamide
SMILESCC(=O)NCc1ccc(-c2csc(NC(=O)CCc3ccc(N(C)C)cc3)n2)s1
InChIInChI=1S/C21H24N4O2S2/c1-14(26)22-12-17-9-10-19(29-17)18-13-28-21(23-18)24-20(27)11-6-15-4-7-16(8-5-15)25(2)3/h4-5,7-10,13H,6,11-12H2,1-3H3,(H,22,26)(H,23,24,27)
InChIKeyOYOJUTPJUXTVTG-UHFFFAOYSA-N
XLogP4.14
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.58
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-3-(4-methylphenyl)propanamide
CID 37389412
N-[[5-[2-[(N'-methylcarbamimidoyl)amino]-1,3-thiazol-4-yl]thiophen-2-yl]methyl]acetamide
CID 67849968
N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 24596906
N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-1-phenylcyclopentane-1-carboxamide
CID 39952290
N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-2-(N-methylanilino)benzamide
CID 55756263
N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetamide
CID 55373039
methyl 6-[[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]carbamoyl]pyridine-3-carboxylate
CID 30749165
N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-5-ethyl-4-methylthiophene-2-carboxamide
CID 55372926
N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-2-benzyl-1,3-thiazole-4-carboxamide
CID 55668720
N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-4-(4-cyano-2-methoxyphenoxy)butanamide
CID 55756627
N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-3-bromo-5-fluorobenzamide
CID 55756304
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-(4-chlorophenyl)butanamide
CID 47046898

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-3-[4-(dimethylamino)phenyl]propanamide?
The IUPAC name of N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-3-[4-(dimethylamino)phenyl]propanamide (CID 24555636) is N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-3-[4-(dimethylamino)phenyl]propanamide.
What is the SMILES notation for N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-3-[4-(dimethylamino)phenyl]propanamide?
The canonical SMILES for N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-3-[4-(dimethylamino)phenyl]propanamide is CC(=O)NCc1ccc(-c2csc(NC(=O)CCc3ccc(N(C)C)cc3)n2)s1.
What is the InChIKey of N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-3-[4-(dimethylamino)phenyl]propanamide?
The InChIKey is OYOJUTPJUXTVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2S2/c1-14(26)22-12-17-9-10-19(29-17)18-13-28-21(23-18)24-20(27)11-6-15-4-7-16(8-5-15)25(2)3/h4-5,7-10,13H,6,11-12H2,1-3H3,(H,22,26)(H,23,24,27).
What are the key properties of N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-3-[4-(dimethylamino)phenyl]propanamide?
N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-3-[4-(dimethylamino)phenyl]propanamide has a molecular weight of 428.58 g/mol, XLogP of 4.14, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-3-[4-(dimethylamino)phenyl]propanamide is sourced from PubChem (CID 24555636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).