4-cyclopropyl-N-[(3R)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-1,3-thiazole-5-carboxamide

C16H19N5O2S — CID 97080135

IUPAC4-cyclopropyl-N-[(3R)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-1,3-thiazole-5-carboxamide
SMILESCn1ccc(N2CCC[C@@H](NC(=O)c3scnc3C3CC3)C2=O)n1
InChIInChI=1S/C16H19N5O2S/c1-20-8-6-12(19-20)21-7-2-3-11(16(21)23)18-15(22)14-13(10-4-5-10)17-9-24-14/h6,8-11H,2-5,7H2,1H3,(H,18,22)/t11-/m1/s1
InChIKeyFYPGFQPFPUZZEI-LLVKDONJSA-N
MW345.43 g/mol
LogP1.68
Rot. Bonds4

About 4-cyclopropyl-N-[(3R)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-1,3-thiazole-5-carboxamide

4-cyclopropyl-N-[(3R)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-1,3-thiazole-5-carboxamide (PubChem CID 97080135) has the molecular formula C16H19N5O2S and a molecular weight of 345.43 g/mol. Its IUPAC name is 4-cyclopropyl-N-[(3R)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-cyclopropyl-N-[(3R)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-1,3-thiazole-5-carboxamide
PubChem CID97080135
Molecular FormulaC16H19N5O2S
Molecular Weight345.43 g/mol
Exact Mass345.13
IUPAC Name4-cyclopropyl-N-[(3R)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-1,3-thiazole-5-carboxamide
SMILESCn1ccc(N2CCC[C@@H](NC(=O)c3scnc3C3CC3)C2=O)n1
InChIInChI=1S/C16H19N5O2S/c1-20-8-6-12(19-20)21-7-2-3-11(16(21)23)18-15(22)14-13(10-4-5-10)17-9-24-14/h6,8-11H,2-5,7H2,1H3,(H,18,22)/t11-/m1/s1
InChIKeyFYPGFQPFPUZZEI-LLVKDONJSA-N
XLogP1.68
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-N-[(3R)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-cyclopropyl-N-[(3R)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-1,3-thiazole-5-carboxamide (CID 97080135) is 4-cyclopropyl-N-[(3R)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-cyclopropyl-N-[(3R)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-cyclopropyl-N-[(3R)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-1,3-thiazole-5-carboxamide is Cn1ccc(N2CCC[C@@H](NC(=O)c3scnc3C3CC3)C2=O)n1.
What is the InChIKey of 4-cyclopropyl-N-[(3R)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is FYPGFQPFPUZZEI-LLVKDONJSA-N. The full InChI is InChI=1S/C16H19N5O2S/c1-20-8-6-12(19-20)21-7-2-3-11(16(21)23)18-15(22)14-13(10-4-5-10)17-9-24-14/h6,8-11H,2-5,7H2,1H3,(H,18,22)/t11-/m1/s1.
What are the key properties of 4-cyclopropyl-N-[(3R)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-1,3-thiazole-5-carboxamide?
4-cyclopropyl-N-[(3R)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 345.43 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-N-[(3R)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 97080135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).