1-[2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfonyl]acetyl]piperidine-4-carboxamide

C19H23N3O4S2 — CID 55595981

IUPAC1-[2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfonyl]acetyl]piperidine-4-carboxamide
SMILESCc1ccc(-c2nc(CS(=O)(=O)CC(=O)N3CCC(C(N)=O)CC3)cs2)cc1
InChIInChI=1S/C19H23N3O4S2/c1-13-2-4-15(5-3-13)19-21-16(10-27-19)11-28(25,26)12-17(23)22-8-6-14(7-9-22)18(20)24/h2-5,10,14H,6-9,11-12H2,1H3,(H2,20,24)
InChIKeyNCSSNFZJYXDDIU-UHFFFAOYSA-N
MW421.54 g/mol
LogP1.76
Rot. Bonds6

About 1-[2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfonyl]acetyl]piperidine-4-carboxamide

1-[2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfonyl]acetyl]piperidine-4-carboxamide (PubChem CID 55595981) has the molecular formula C19H23N3O4S2 and a molecular weight of 421.54 g/mol. Its IUPAC name is 1-[2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfonyl]acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfonyl]acetyl]piperidine-4-carboxamide
PubChem CID55595981
Molecular FormulaC19H23N3O4S2
Molecular Weight421.54 g/mol
Exact Mass421.11
IUPAC Name1-[2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfonyl]acetyl]piperidine-4-carboxamide
SMILESCc1ccc(-c2nc(CS(=O)(=O)CC(=O)N3CCC(C(N)=O)CC3)cs2)cc1
InChIInChI=1S/C19H23N3O4S2/c1-13-2-4-15(5-3-13)19-21-16(10-27-19)11-28(25,26)12-17(23)22-8-6-14(7-9-22)18(20)24/h2-5,10,14H,6-9,11-12H2,1H3,(H2,20,24)
InChIKeyNCSSNFZJYXDDIU-UHFFFAOYSA-N
XLogP1.76
TPSA110.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-morpholin-4-yl-2-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methylsulfonyl]ethanone
CID 78852647
1-[2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide
CID 16827166
1-(2-ethylpiperidin-1-yl)-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfonyl]ethanone
CID 46458677
N-[(1R,2S)-2-methylcyclohexyl]-2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfonyl]acetamide
CID 51936038
1-[2-[methyl-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]acetyl]piperidine-4-carboxylic acid
CID 75429408
1-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]pyrrolidine-2-carboxamide
CID 56922956
2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-1-piperazin-1-ylethanone
CID 39305192
(3R)-1-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetyl]piperidine-3-carboxamide
CID 9395795
N,N-dimethyl-1-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperidine-4-carboxamide
CID 78779340
1-[2-(furan-3-yl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide
CID 119125746
2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]-1-pyrrolidin-1-ylethanone
CID 6619442
1-[3-(methylamino)piperidin-1-yl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanone
CID 119488489

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfonyl]acetyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfonyl]acetyl]piperidine-4-carboxamide (CID 55595981) is 1-[2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfonyl]acetyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfonyl]acetyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfonyl]acetyl]piperidine-4-carboxamide is Cc1ccc(-c2nc(CS(=O)(=O)CC(=O)N3CCC(C(N)=O)CC3)cs2)cc1.
What is the InChIKey of 1-[2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfonyl]acetyl]piperidine-4-carboxamide?
The InChIKey is NCSSNFZJYXDDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S2/c1-13-2-4-15(5-3-13)19-21-16(10-27-19)11-28(25,26)12-17(23)22-8-6-14(7-9-22)18(20)24/h2-5,10,14H,6-9,11-12H2,1H3,(H2,20,24).
What are the key properties of 1-[2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfonyl]acetyl]piperidine-4-carboxamide?
1-[2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfonyl]acetyl]piperidine-4-carboxamide has a molecular weight of 421.54 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfonyl]acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 55595981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).