1-[2-(2-cyanophenyl)sulfanylbenzoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide

C23H20N4O2S2 — CID 60573749

IUPAC1-[2-(2-cyanophenyl)sulfanylbenzoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
SMILESN#Cc1ccccc1Sc1ccccc1C(=O)N1CCCC(C(=O)Nc2nccs2)C1
InChIInChI=1S/C23H20N4O2S2/c24-14-16-6-1-3-9-19(16)31-20-10-4-2-8-18(20)22(29)27-12-5-7-17(15-27)21(28)26-23-25-11-13-30-23/h1-4,6,8-11,13,17H,5,7,12,15H2,(H,25,26,28)
InChIKeyNEFWMBIDSJETOI-UHFFFAOYSA-N
MW448.57 g/mol
LogP4.66
Rot. Bonds5

About 1-[2-(2-cyanophenyl)sulfanylbenzoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide

1-[2-(2-cyanophenyl)sulfanylbenzoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide (PubChem CID 60573749) has the molecular formula C23H20N4O2S2 and a molecular weight of 448.57 g/mol. Its IUPAC name is 1-[2-(2-cyanophenyl)sulfanylbenzoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(2-cyanophenyl)sulfanylbenzoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
PubChem CID60573749
Molecular FormulaC23H20N4O2S2
Molecular Weight448.57 g/mol
Exact Mass448.10
IUPAC Name1-[2-(2-cyanophenyl)sulfanylbenzoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
SMILESN#Cc1ccccc1Sc1ccccc1C(=O)N1CCCC(C(=O)Nc2nccs2)C1
InChIInChI=1S/C23H20N4O2S2/c24-14-16-6-1-3-9-19(16)31-20-10-4-2-8-18(20)22(29)27-12-5-7-17(15-27)21(28)26-23-25-11-13-30-23/h1-4,6,8-11,13,17H,5,7,12,15H2,(H,25,26,28)
InChIKeyNEFWMBIDSJETOI-UHFFFAOYSA-N
XLogP4.66
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-1-(2-methoxybenzoyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 94132003
1-(3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 48692113
1-[4-(phenoxymethyl)benzoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 55960033
1-(4-cyclopentyloxybenzoyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 55961185
1-(3-methyl-1-benzofuran-2-carbonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 47067010
(3S)-1-N-(pyridin-2-ylmethyl)-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide
CID 94656232
1-(6-methoxypyridine-3-carbonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 47067016
1-[4-(methylsulfamoyl)benzoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 55812809
tert-butyl (3R)-3-(1,3-thiazol-2-ylcarbamoyl)piperidine-1-carboxylate
CID 41113080
1-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 55811024
1-[2-(4-methylphenyl)-2-oxoacetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 51125247
(3R)-N-(1,3-thiazol-2-yl)-1-[(E)-3-thiophen-2-ylprop-2-enoyl]piperidine-3-carboxamide
CID 94131967

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-cyanophenyl)sulfanylbenzoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of 1-[2-(2-cyanophenyl)sulfanylbenzoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide (CID 60573749) is 1-[2-(2-cyanophenyl)sulfanylbenzoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(2-cyanophenyl)sulfanylbenzoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-[2-(2-cyanophenyl)sulfanylbenzoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide is N#Cc1ccccc1Sc1ccccc1C(=O)N1CCCC(C(=O)Nc2nccs2)C1.
What is the InChIKey of 1-[2-(2-cyanophenyl)sulfanylbenzoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The InChIKey is NEFWMBIDSJETOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2S2/c24-14-16-6-1-3-9-19(16)31-20-10-4-2-8-18(20)22(29)27-12-5-7-17(15-27)21(28)26-23-25-11-13-30-23/h1-4,6,8-11,13,17H,5,7,12,15H2,(H,25,26,28).
What are the key properties of 1-[2-(2-cyanophenyl)sulfanylbenzoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
1-[2-(2-cyanophenyl)sulfanylbenzoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 448.57 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-cyanophenyl)sulfanylbenzoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 60573749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).