N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-5-nitro-2-piperidin-1-ylbenzamide

C23H23N5O4S — CID 26893855

IUPACN-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-5-nitro-2-piperidin-1-ylbenzamide
SMILESCC(=O)Nc1ccc(-c2csc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCCCC3)n2)cc1
InChIInChI=1S/C23H23N5O4S/c1-15(29)24-17-7-5-16(6-8-17)20-14-33-23(25-20)26-22(30)19-13-18(28(31)32)9-10-21(19)27-11-3-2-4-12-27/h5-10,13-14H,2-4,11-12H2,1H3,(H,24,29)(H,25,26,30)
InChIKeyRMAWKXVQGGOBMU-UHFFFAOYSA-N
MW465.54 g/mol
LogP4.92
Rot. Bonds6

About N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-5-nitro-2-piperidin-1-ylbenzamide

N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-5-nitro-2-piperidin-1-ylbenzamide (PubChem CID 26893855) has the molecular formula C23H23N5O4S and a molecular weight of 465.54 g/mol. Its IUPAC name is N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-5-nitro-2-piperidin-1-ylbenzamide.

Molecular Properties

Compound NameN-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-5-nitro-2-piperidin-1-ylbenzamide
PubChem CID26893855
Molecular FormulaC23H23N5O4S
Molecular Weight465.54 g/mol
Exact Mass465.15
IUPAC NameN-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-5-nitro-2-piperidin-1-ylbenzamide
SMILESCC(=O)Nc1ccc(-c2csc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCCCC3)n2)cc1
InChIInChI=1S/C23H23N5O4S/c1-15(29)24-17-7-5-16(6-8-17)20-14-33-23(25-20)26-22(30)19-13-18(28(31)32)9-10-21(19)27-11-3-2-4-12-27/h5-10,13-14H,2-4,11-12H2,1H3,(H,24,29)(H,25,26,30)
InChIKeyRMAWKXVQGGOBMU-UHFFFAOYSA-N
XLogP4.92
TPSA117.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.54
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide
CID 24650276
5-nitro-2-piperidin-1-yl-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]benzamide
CID 56585930
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-morpholin-4-yl-5-nitrobenzamide
CID 33302034
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2,4-dinitrobenzamide
CID 4091155
N-(4-methyl-3-nitrophenyl)-5-nitro-2-piperidin-1-ylbenzamide
CID 39753269
N-naphthalen-2-yl-5-nitro-2-pyrrolidin-1-ylbenzamide
CID 9068527
2-chloro-5-nitro-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 19226631
2-(azepan-1-yl)-N-(3-methylphenyl)-5-nitrobenzamide
CID 2948692
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3,4,5-trimethoxy-2-nitrobenzamide
CID 36666226
2-morpholin-4-yl-5-nitro-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 60525474
N-(3-chloro-4-piperidin-1-ylphenyl)-2-morpholin-4-yl-5-nitrobenzamide
CID 22781776
N-(4-nitrophenyl)-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine
CID 59088612

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-5-nitro-2-piperidin-1-ylbenzamide?
The IUPAC name of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-5-nitro-2-piperidin-1-ylbenzamide (CID 26893855) is N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-5-nitro-2-piperidin-1-ylbenzamide.
What is the SMILES notation for N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-5-nitro-2-piperidin-1-ylbenzamide?
The canonical SMILES for N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-5-nitro-2-piperidin-1-ylbenzamide is CC(=O)Nc1ccc(-c2csc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCCCC3)n2)cc1.
What is the InChIKey of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-5-nitro-2-piperidin-1-ylbenzamide?
The InChIKey is RMAWKXVQGGOBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O4S/c1-15(29)24-17-7-5-16(6-8-17)20-14-33-23(25-20)26-22(30)19-13-18(28(31)32)9-10-21(19)27-11-3-2-4-12-27/h5-10,13-14H,2-4,11-12H2,1H3,(H,24,29)(H,25,26,30).
What are the key properties of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-5-nitro-2-piperidin-1-ylbenzamide?
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-5-nitro-2-piperidin-1-ylbenzamide has a molecular weight of 465.54 g/mol, XLogP of 4.92, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-5-nitro-2-piperidin-1-ylbenzamide is sourced from PubChem (CID 26893855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).