1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-piperidin-1-ylpiperidine-4-carboxamide

C21H28N4OS — CID 1267684

IUPAC1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-piperidin-1-ylpiperidine-4-carboxamide
SMILESCc1ccc(-c2csc(N3CCC(C(N)=O)(N4CCCCC4)CC3)n2)cc1
InChIInChI=1S/C21H28N4OS/c1-16-5-7-17(8-6-16)18-15-27-20(23-18)24-13-9-21(10-14-24,19(22)26)25-11-3-2-4-12-25/h5-8,15H,2-4,9-14H2,1H3,(H2,22,26)
InChIKeyDCXJQTSBUCUQKM-UHFFFAOYSA-N
MW384.55 g/mol
LogP3.43
Rot. Bonds4

About 1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-piperidin-1-ylpiperidine-4-carboxamide

1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-piperidin-1-ylpiperidine-4-carboxamide (PubChem CID 1267684) has the molecular formula C21H28N4OS and a molecular weight of 384.55 g/mol. Its IUPAC name is 1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-piperidin-1-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-piperidin-1-ylpiperidine-4-carboxamide
PubChem CID1267684
Molecular FormulaC21H28N4OS
Molecular Weight384.55 g/mol
Exact Mass384.20
IUPAC Name1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-piperidin-1-ylpiperidine-4-carboxamide
SMILESCc1ccc(-c2csc(N3CCC(C(N)=O)(N4CCCCC4)CC3)n2)cc1
InChIInChI=1S/C21H28N4OS/c1-16-5-7-17(8-6-16)18-15-27-20(23-18)24-13-9-21(10-14-24,19(22)26)25-11-3-2-4-12-25/h5-8,15H,2-4,9-14H2,1H3,(H2,22,26)
InChIKeyDCXJQTSBUCUQKM-UHFFFAOYSA-N
XLogP3.43
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.55
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

L 006235
CID 9912381
H3B-120
CID 132355378
3-[[4-(4-Carbamimidoylphenyl)-1,3-thiazol-2-yl]-[1-(carboxymethyl)piperidin-4-yl]amino]propanoic acid
CID 9867414
(2S)-2-[(1-methylpiperidin-2-yl)formamido]-8-oxo-N-(4-phenyl-1,3-thiazol-2-yl)nonanamide
CID 16036765
(R,S)-4-methyl-2-[3''-(2-piperazin-1-yl-thiazol-4-yl)-biphenyl-3-yl]-pentanoic acid cyanomethyl-amide
CID 9891030
4-(4-Phenyl-thiazol-2-yl)-piperazine-1-carboxylic acid dimethylamide
CID 778223
N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-[2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-thiazol-4-yl]benzamide
CID 11512144
N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-[2-[methyl-(4-methylpiperazin-1-yl)amino]-1,3-thiazol-4-yl]benzamide
CID 11547772
4-[2-(4-tert-butylpiperazin-1-yl)-1,3-thiazol-4-yl]-N-[1-(cyanomethylcarbamoyl)cyclohexyl]benzamide
CID 11613136
N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-[2-[4-(propan-2-ylamino)piperidin-1-yl]-1,3-thiazol-4-yl]benzamide
CID 11684874
2-Morpholino-N-(4-(p-tolyl)thiazol-2-yl)acetamide
CID 2336901
2-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 4175212

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-piperidin-1-ylpiperidine-4-carboxamide?
The IUPAC name of 1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-piperidin-1-ylpiperidine-4-carboxamide (CID 1267684) is 1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-piperidin-1-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-piperidin-1-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-piperidin-1-ylpiperidine-4-carboxamide is Cc1ccc(-c2csc(N3CCC(C(N)=O)(N4CCCCC4)CC3)n2)cc1.
What is the InChIKey of 1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-piperidin-1-ylpiperidine-4-carboxamide?
The InChIKey is DCXJQTSBUCUQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4OS/c1-16-5-7-17(8-6-16)18-15-27-20(23-18)24-13-9-21(10-14-24,19(22)26)25-11-3-2-4-12-25/h5-8,15H,2-4,9-14H2,1H3,(H2,22,26).
What are the key properties of 1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-piperidin-1-ylpiperidine-4-carboxamide?
1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-piperidin-1-ylpiperidine-4-carboxamide has a molecular weight of 384.55 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-piperidin-1-ylpiperidine-4-carboxamide is sourced from PubChem (CID 1267684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).