4-[3-(furan-2-yl)pyrazol-1-yl]-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidine-4-carboxylic acid

C18H18N4O4S — CID 56897994

IUPAC4-[3-(furan-2-yl)pyrazol-1-yl]-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidine-4-carboxylic acid
SMILESCc1ncsc1C(=O)N1CCC(C(=O)O)(n2ccc(-c3ccco3)n2)CC1
InChIInChI=1S/C18H18N4O4S/c1-12-15(27-11-19-12)16(23)21-8-5-18(6-9-21,17(24)25)22-7-4-13(20-22)14-3-2-10-26-14/h2-4,7,10-11H,5-6,8-9H2,1H3,(H,24,25)
InChIKeyXLRPOLAKDVRCEZ-UHFFFAOYSA-N
MW386.43 g/mol
LogP2.62
Rot. Bonds4

About 4-[3-(furan-2-yl)pyrazol-1-yl]-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidine-4-carboxylic acid

4-[3-(furan-2-yl)pyrazol-1-yl]-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidine-4-carboxylic acid (PubChem CID 56897994) has the molecular formula C18H18N4O4S and a molecular weight of 386.43 g/mol. Its IUPAC name is 4-[3-(furan-2-yl)pyrazol-1-yl]-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-[3-(furan-2-yl)pyrazol-1-yl]-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidine-4-carboxylic acid
PubChem CID56897994
Molecular FormulaC18H18N4O4S
Molecular Weight386.43 g/mol
Exact Mass386.10
IUPAC Name4-[3-(furan-2-yl)pyrazol-1-yl]-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidine-4-carboxylic acid
SMILESCc1ncsc1C(=O)N1CCC(C(=O)O)(n2ccc(-c3ccco3)n2)CC1
InChIInChI=1S/C18H18N4O4S/c1-12-15(27-11-19-12)16(23)21-8-5-18(6-9-21,17(24)25)22-7-4-13(20-22)14-3-2-10-26-14/h2-4,7,10-11H,5-6,8-9H2,1H3,(H,24,25)
InChIKeyXLRPOLAKDVRCEZ-UHFFFAOYSA-N
XLogP2.62
TPSA101.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[3-(furan-2-yl)pyrazol-1-yl]-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidine-4-carboxylic acid with MolForge

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Related Compounds

4-[3-(furan-2-yl)pyrazol-1-yl]-1-(6-methyl-2-pyridinyl)piperidine-4-carboxylic acid
CID 70708436
4-[3-(furan-2-yl)pyrazol-1-yl]-1-(thiophen-2-ylmethyl)piperidine-4-carboxylic acid
CID 70726800
4-[3-(furan-2-yl)pyrazol-1-yl]-1-[(3R)-oxolane-3-carbonyl]piperidine-4-carboxylic acid
CID 95874973
1-[(2S)-1,4-dioxane-2-carbonyl]-4-[3-(furan-2-yl)pyrazol-1-yl]piperidine-4-carboxylic acid
CID 95866570
1-(4-methyl-1,3-thiazole-5-carbonyl)-4-phenylpiperidine-4-carboxylic acid
CID 119136798
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(4-methyl-1,3-thiazol-5-yl)methanone
CID 47281792
(3-hydroxy-3-methylpyrrolidin-1-yl)-(4-methyl-1,3-thiazol-5-yl)methanone
CID 103727188
1-benzyl-3-ethyl-8-(4-methyl-1,3-thiazole-5-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166612461
(3S)-8-(4-methyl-1,3-thiazole-5-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97203748
4-(3-propan-2-ylpyrazol-1-yl)-1-(1,3-thiazole-4-carbonyl)piperidine-4-carboxylic acid
CID 56883218
2-[1'-(4-methyl-1,3-thiazole-5-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetic acid
CID 134077279
9-(4-methyl-1,3-thiazole-5-carbonyl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72940356

Frequently Asked Questions

What is the IUPAC name of 4-[3-(furan-2-yl)pyrazol-1-yl]-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-[3-(furan-2-yl)pyrazol-1-yl]-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidine-4-carboxylic acid (CID 56897994) is 4-[3-(furan-2-yl)pyrazol-1-yl]-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-[3-(furan-2-yl)pyrazol-1-yl]-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-[3-(furan-2-yl)pyrazol-1-yl]-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidine-4-carboxylic acid is Cc1ncsc1C(=O)N1CCC(C(=O)O)(n2ccc(-c3ccco3)n2)CC1.
What is the InChIKey of 4-[3-(furan-2-yl)pyrazol-1-yl]-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidine-4-carboxylic acid?
The InChIKey is XLRPOLAKDVRCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4S/c1-12-15(27-11-19-12)16(23)21-8-5-18(6-9-21,17(24)25)22-7-4-13(20-22)14-3-2-10-26-14/h2-4,7,10-11H,5-6,8-9H2,1H3,(H,24,25).
What are the key properties of 4-[3-(furan-2-yl)pyrazol-1-yl]-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidine-4-carboxylic acid?
4-[3-(furan-2-yl)pyrazol-1-yl]-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidine-4-carboxylic acid has a molecular weight of 386.43 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(furan-2-yl)pyrazol-1-yl]-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 56897994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).