2-[1-[(4-cyclopropyl-1-methylpyrazol-5-yl)methyl]piperidin-3-yl]-1,3-thiazole-4-carboxylic acid

C17H22N4O2S — CID 166267754

IUPAC2-[1-[(4-cyclopropyl-1-methylpyrazol-5-yl)methyl]piperidin-3-yl]-1,3-thiazole-4-carboxylic acid
SMILESCn1ncc(C2CC2)c1CN1CCCC(c2nc(C(=O)O)cs2)C1
InChIInChI=1S/C17H22N4O2S/c1-20-15(13(7-18-20)11-4-5-11)9-21-6-2-3-12(8-21)16-19-14(10-24-16)17(22)23/h7,10-12H,2-6,8-9H2,1H3,(H,22,23)
InChIKeySKGUCVZAHCCPBF-UHFFFAOYSA-N
MW346.46 g/mol
LogP2.83
Rot. Bonds5

About 2-[1-[(4-cyclopropyl-1-methylpyrazol-5-yl)methyl]piperidin-3-yl]-1,3-thiazole-4-carboxylic acid

2-[1-[(4-cyclopropyl-1-methylpyrazol-5-yl)methyl]piperidin-3-yl]-1,3-thiazole-4-carboxylic acid (PubChem CID 166267754) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is 2-[1-[(4-cyclopropyl-1-methylpyrazol-5-yl)methyl]piperidin-3-yl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[1-[(4-cyclopropyl-1-methylpyrazol-5-yl)methyl]piperidin-3-yl]-1,3-thiazole-4-carboxylic acid
PubChem CID166267754
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC Name2-[1-[(4-cyclopropyl-1-methylpyrazol-5-yl)methyl]piperidin-3-yl]-1,3-thiazole-4-carboxylic acid
SMILESCn1ncc(C2CC2)c1CN1CCCC(c2nc(C(=O)O)cs2)C1
InChIInChI=1S/C17H22N4O2S/c1-20-15(13(7-18-20)11-4-5-11)9-21-6-2-3-12(8-21)16-19-14(10-24-16)17(22)23/h7,10-12H,2-6,8-9H2,1H3,(H,22,23)
InChIKeySKGUCVZAHCCPBF-UHFFFAOYSA-N
XLogP2.83
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-cyclopropyl-1-methylpyrazol-5-yl)methyl]piperidin-3-yl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[1-[(4-cyclopropyl-1-methylpyrazol-5-yl)methyl]piperidin-3-yl]-1,3-thiazole-4-carboxylic acid (CID 166267754) is 2-[1-[(4-cyclopropyl-1-methylpyrazol-5-yl)methyl]piperidin-3-yl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[1-[(4-cyclopropyl-1-methylpyrazol-5-yl)methyl]piperidin-3-yl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[1-[(4-cyclopropyl-1-methylpyrazol-5-yl)methyl]piperidin-3-yl]-1,3-thiazole-4-carboxylic acid is Cn1ncc(C2CC2)c1CN1CCCC(c2nc(C(=O)O)cs2)C1.
What is the InChIKey of 2-[1-[(4-cyclopropyl-1-methylpyrazol-5-yl)methyl]piperidin-3-yl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is SKGUCVZAHCCPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-20-15(13(7-18-20)11-4-5-11)9-21-6-2-3-12(8-21)16-19-14(10-24-16)17(22)23/h7,10-12H,2-6,8-9H2,1H3,(H,22,23).
What are the key properties of 2-[1-[(4-cyclopropyl-1-methylpyrazol-5-yl)methyl]piperidin-3-yl]-1,3-thiazole-4-carboxylic acid?
2-[1-[(4-cyclopropyl-1-methylpyrazol-5-yl)methyl]piperidin-3-yl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 346.46 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-cyclopropyl-1-methylpyrazol-5-yl)methyl]piperidin-3-yl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 166267754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).