2-[1-(2-prop-2-enylsulfanylpyridine-3-carbonyl)piperidin-4-yl]-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide

C23H24N4O2S3 — CID 4999346

IUPAC2-[1-(2-prop-2-enylsulfanylpyridine-3-carbonyl)piperidin-4-yl]-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESC=CCSc1ncccc1C(=O)N1CCC(c2nc(C(=O)NCc3cccs3)cs2)CC1
InChIInChI=1S/C23H24N4O2S3/c1-2-12-31-22-18(6-3-9-24-22)23(29)27-10-7-16(8-11-27)21-26-19(15-32-21)20(28)25-14-17-5-4-13-30-17/h2-6,9,13,15-16H,1,7-8,10-12,14H2,(H,25,28)
InChIKeyNPEZYJVPBFXEPQ-UHFFFAOYSA-N
MW484.67 g/mol
LogP4.83
Rot. Bonds8

About 2-[1-(2-prop-2-enylsulfanylpyridine-3-carbonyl)piperidin-4-yl]-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide

2-[1-(2-prop-2-enylsulfanylpyridine-3-carbonyl)piperidin-4-yl]-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide (PubChem CID 4999346) has the molecular formula C23H24N4O2S3 and a molecular weight of 484.67 g/mol. Its IUPAC name is 2-[1-(2-prop-2-enylsulfanylpyridine-3-carbonyl)piperidin-4-yl]-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[1-(2-prop-2-enylsulfanylpyridine-3-carbonyl)piperidin-4-yl]-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide
PubChem CID4999346
Molecular FormulaC23H24N4O2S3
Molecular Weight484.67 g/mol
Exact Mass484.11
IUPAC Name2-[1-(2-prop-2-enylsulfanylpyridine-3-carbonyl)piperidin-4-yl]-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESC=CCSc1ncccc1C(=O)N1CCC(c2nc(C(=O)NCc3cccs3)cs2)CC1
InChIInChI=1S/C23H24N4O2S3/c1-2-12-31-22-18(6-3-9-24-22)23(29)27-10-7-16(8-11-27)21-26-19(15-32-21)20(28)25-14-17-5-4-13-30-17/h2-6,9,13,15-16H,1,7-8,10-12,14H2,(H,25,28)
InChIKeyNPEZYJVPBFXEPQ-UHFFFAOYSA-N
XLogP4.83
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.67
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-methylphenyl)methyl]-2-[1-(2-prop-2-enylsulfanylpyridine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 3860646
N-[(2-nitrophenyl)methyl]-2-[1-(2-prop-2-enylsulfanylpyridine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 3783715
N'-(benzenesulfonyl)-2-[1-(2-prop-2-enylsulfanylpyridine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carbohydrazide
CID 3695795
N-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)-2-[1-(2-prop-2-enylsulfanylpyridine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 3839267
N'-methyl-N'-phenyl-2-[1-(2-prop-2-enylsulfanylpyridine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carbohydrazide
CID 3688052
2-[1-(2-prop-2-enylsulfanylpyridine-3-carbonyl)piperidin-4-yl]-N-quinolin-6-yl-1,3-thiazole-4-carboxamide
CID 3446704
ethyl 3-[[2-[1-(2-prop-2-enylsulfanylpyridine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]butanoate
CID 3827097
N-(2,3-dihydro-1H-inden-5-yl)-2-[1-(2-prop-2-enylsulfanylpyridine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 3693688
N-methyl-N-(1-methylpiperidin-4-yl)-2-[1-(2-prop-2-enylsulfanylpyridine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 3873768
benzyl 2-[[2-[1-(2-prop-2-enylsulfanylpyridine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]propanoate
CID 3386937
N-(4-chloro-1H-indazol-3-yl)-2-[1-(2-prop-2-enylsulfanylpyridine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 3861735
methyl 3-[2-[1-(2-prop-2-enylsulfanylpyridine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-2-carboxylate
CID 3280781

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-prop-2-enylsulfanylpyridine-3-carbonyl)piperidin-4-yl]-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[1-(2-prop-2-enylsulfanylpyridine-3-carbonyl)piperidin-4-yl]-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide (CID 4999346) is 2-[1-(2-prop-2-enylsulfanylpyridine-3-carbonyl)piperidin-4-yl]-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[1-(2-prop-2-enylsulfanylpyridine-3-carbonyl)piperidin-4-yl]-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[1-(2-prop-2-enylsulfanylpyridine-3-carbonyl)piperidin-4-yl]-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide is C=CCSc1ncccc1C(=O)N1CCC(c2nc(C(=O)NCc3cccs3)cs2)CC1.
What is the InChIKey of 2-[1-(2-prop-2-enylsulfanylpyridine-3-carbonyl)piperidin-4-yl]-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is NPEZYJVPBFXEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2S3/c1-2-12-31-22-18(6-3-9-24-22)23(29)27-10-7-16(8-11-27)21-26-19(15-32-21)20(28)25-14-17-5-4-13-30-17/h2-6,9,13,15-16H,1,7-8,10-12,14H2,(H,25,28).
What are the key properties of 2-[1-(2-prop-2-enylsulfanylpyridine-3-carbonyl)piperidin-4-yl]-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide?
2-[1-(2-prop-2-enylsulfanylpyridine-3-carbonyl)piperidin-4-yl]-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 484.67 g/mol, XLogP of 4.83, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-prop-2-enylsulfanylpyridine-3-carbonyl)piperidin-4-yl]-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 4999346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).