4-(3-propan-2-ylpyrazol-1-yl)-1-(1,3-thiazole-4-carbonyl)piperidine-4-carboxylic acid

C16H20N4O3S — CID 56883218

IUPAC4-(3-propan-2-ylpyrazol-1-yl)-1-(1,3-thiazole-4-carbonyl)piperidine-4-carboxylic acid
SMILESCC(C)c1ccn(C2(C(=O)O)CCN(C(=O)c3cscn3)CC2)n1
InChIInChI=1S/C16H20N4O3S/c1-11(2)12-3-6-20(18-12)16(15(22)23)4-7-19(8-5-16)14(21)13-9-24-10-17-13/h3,6,9-11H,4-5,7-8H2,1-2H3,(H,22,23)
InChIKeyXMASMPJSRXVTBZ-UHFFFAOYSA-N
MW348.43 g/mol
LogP2.18
Rot. Bonds4

About 4-(3-propan-2-ylpyrazol-1-yl)-1-(1,3-thiazole-4-carbonyl)piperidine-4-carboxylic acid

4-(3-propan-2-ylpyrazol-1-yl)-1-(1,3-thiazole-4-carbonyl)piperidine-4-carboxylic acid (PubChem CID 56883218) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is 4-(3-propan-2-ylpyrazol-1-yl)-1-(1,3-thiazole-4-carbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-(3-propan-2-ylpyrazol-1-yl)-1-(1,3-thiazole-4-carbonyl)piperidine-4-carboxylic acid
PubChem CID56883218
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC Name4-(3-propan-2-ylpyrazol-1-yl)-1-(1,3-thiazole-4-carbonyl)piperidine-4-carboxylic acid
SMILESCC(C)c1ccn(C2(C(=O)O)CCN(C(=O)c3cscn3)CC2)n1
InChIInChI=1S/C16H20N4O3S/c1-11(2)12-3-6-20(18-12)16(15(22)23)4-7-19(8-5-16)14(21)13-9-24-10-17-13/h3,6,9-11H,4-5,7-8H2,1-2H3,(H,22,23)
InChIKeyXMASMPJSRXVTBZ-UHFFFAOYSA-N
XLogP2.18
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(morpholine-4-carbonyl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid
CID 56891386
4-ethyl-1-(1,3-thiazole-4-carbonyl)piperidine-4-carboxylic acid
CID 63125222
4-methyl-1-(1,3-thiazole-4-carbonyl)piperidine-4-carbothioamide
CID 107161029
azocan-1-yl(1,3-thiazol-4-yl)methanone
CID 62045313
[2-(1,3-thiazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-thiophen-3-ylmethanone
CID 97369944
4-(3-methylphenoxy)-1-(1,3-thiazole-4-carbonyl)piperidine-4-carboxylic acid
CID 70711344
3-methyl-8-(1,3-thiazole-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 95811403
2-ethyl-1-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]butan-1-one
CID 110646105
[3-hydroxy-3-(4-methylphenyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 110250248
4-(3-fluoroanilino)-N-propan-2-yl-1-(1,3-thiazole-4-carbonyl)piperidine-4-carboxamide
CID 155879747
[4-(dimethylamino)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 63037207
1-methyl-1'-(1,3-thiazole-4-carbonyl)spiro[indole-3,4'-piperidine]-2-one
CID 97386070

Frequently Asked Questions

What is the IUPAC name of 4-(3-propan-2-ylpyrazol-1-yl)-1-(1,3-thiazole-4-carbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-(3-propan-2-ylpyrazol-1-yl)-1-(1,3-thiazole-4-carbonyl)piperidine-4-carboxylic acid (CID 56883218) is 4-(3-propan-2-ylpyrazol-1-yl)-1-(1,3-thiazole-4-carbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-(3-propan-2-ylpyrazol-1-yl)-1-(1,3-thiazole-4-carbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-(3-propan-2-ylpyrazol-1-yl)-1-(1,3-thiazole-4-carbonyl)piperidine-4-carboxylic acid is CC(C)c1ccn(C2(C(=O)O)CCN(C(=O)c3cscn3)CC2)n1.
What is the InChIKey of 4-(3-propan-2-ylpyrazol-1-yl)-1-(1,3-thiazole-4-carbonyl)piperidine-4-carboxylic acid?
The InChIKey is XMASMPJSRXVTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S/c1-11(2)12-3-6-20(18-12)16(15(22)23)4-7-19(8-5-16)14(21)13-9-24-10-17-13/h3,6,9-11H,4-5,7-8H2,1-2H3,(H,22,23).
What are the key properties of 4-(3-propan-2-ylpyrazol-1-yl)-1-(1,3-thiazole-4-carbonyl)piperidine-4-carboxylic acid?
4-(3-propan-2-ylpyrazol-1-yl)-1-(1,3-thiazole-4-carbonyl)piperidine-4-carboxylic acid has a molecular weight of 348.43 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-propan-2-ylpyrazol-1-yl)-1-(1,3-thiazole-4-carbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 56883218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).