N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-4-methylthiadiazole-5-carboxamide

C18H19N5O2S2 — CID 112773417

IUPACN-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-4-methylthiadiazole-5-carboxamide
SMILESCC(=O)NCCCc1ccc(-c2csc(NC(=O)c3snnc3C)n2)cc1
InChIInChI=1S/C18H19N5O2S2/c1-11-16(27-23-22-11)17(25)21-18-20-15(10-26-18)14-7-5-13(6-8-14)4-3-9-19-12(2)24/h5-8,10H,3-4,9H2,1-2H3,(H,19,24)(H,20,21,25)
InChIKeyUOBBHJDACSBILI-UHFFFAOYSA-N
MW401.52 g/mol
LogP3.29
Rot. Bonds7

About N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-4-methylthiadiazole-5-carboxamide

N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-4-methylthiadiazole-5-carboxamide (PubChem CID 112773417) has the molecular formula C18H19N5O2S2 and a molecular weight of 401.52 g/mol. Its IUPAC name is N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-4-methylthiadiazole-5-carboxamide
PubChem CID112773417
Molecular FormulaC18H19N5O2S2
Molecular Weight401.52 g/mol
Exact Mass401.10
IUPAC NameN-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-4-methylthiadiazole-5-carboxamide
SMILESCC(=O)NCCCc1ccc(-c2csc(NC(=O)c3snnc3C)n2)cc1
InChIInChI=1S/C18H19N5O2S2/c1-11-16(27-23-22-11)17(25)21-18-20-15(10-26-18)14-7-5-13(6-8-14)4-3-9-19-12(2)24/h5-8,10H,3-4,9H2,1-2H3,(H,19,24)(H,20,21,25)
InChIKeyUOBBHJDACSBILI-UHFFFAOYSA-N
XLogP3.29
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.52
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]benzene-1,4-dicarboxamide
CID 112773146
N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-2-methylbenzamide
CID 36531308
N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-2-aminoacetamide;hydrochloride
CID 119271984
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-methylthiadiazole-5-carboxamide
CID 21008252
N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-4-nitrobenzamide
CID 46820400
N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-2-methoxybenzamide
CID 27993083
N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]hexanamide
CID 55382237
N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-4-amino-3-methoxybutanamide;hydrochloride
CID 120587262
N-[4-[4-(2-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 17410318
N-[4-[4-(2-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-5-acetylthiophene-2-carboxamide
CID 18127750
N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-2-(phenoxymethyl)benzamide
CID 35888051
N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide
CID 119271989

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-4-methylthiadiazole-5-carboxamide (CID 112773417) is N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-4-methylthiadiazole-5-carboxamide is CC(=O)NCCCc1ccc(-c2csc(NC(=O)c3snnc3C)n2)cc1.
What is the InChIKey of N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-4-methylthiadiazole-5-carboxamide?
The InChIKey is UOBBHJDACSBILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2S2/c1-11-16(27-23-22-11)17(25)21-18-20-15(10-26-18)14-7-5-13(6-8-14)4-3-9-19-12(2)24/h5-8,10H,3-4,9H2,1-2H3,(H,19,24)(H,20,21,25).
What are the key properties of N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-4-methylthiadiazole-5-carboxamide?
N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-4-methylthiadiazole-5-carboxamide has a molecular weight of 401.52 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 112773417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).