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

C15H19N5O2S — CID 99601245

IUPAC4-ethyl-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-1,3-thiazole-5-carboxamide
SMILESCCc1ncsc1C(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O
InChIInChI=1S/C15H19N5O2S/c1-3-10-13(23-9-16-10)14(21)17-11-5-4-7-20(15(11)22)12-6-8-19(2)18-12/h6,8-9,11H,3-5,7H2,1-2H3,(H,17,21)/t11-/m0/s1
InChIKeyKPMHDESOTSMYLJ-NSHDSACASA-N
MW333.42 g/mol
LogP1.36
Rot. Bonds4

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

4-ethyl-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-1,3-thiazole-5-carboxamide (PubChem CID 99601245) has the molecular formula C15H19N5O2S and a molecular weight of 333.42 g/mol. Its IUPAC name is 4-ethyl-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-1,3-thiazole-5-carboxamide
PubChem CID99601245
Molecular FormulaC15H19N5O2S
Molecular Weight333.42 g/mol
Exact Mass333.13
IUPAC Name4-ethyl-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-1,3-thiazole-5-carboxamide
SMILESCCc1ncsc1C(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O
InChIInChI=1S/C15H19N5O2S/c1-3-10-13(23-9-16-10)14(21)17-11-5-4-7-20(15(11)22)12-6-8-19(2)18-12/h6,8-9,11H,3-5,7H2,1-2H3,(H,17,21)/t11-/m0/s1
InChIKeyKPMHDESOTSMYLJ-NSHDSACASA-N
XLogP1.36
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-ethyl-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-1,3-thiazole-5-carboxamide (CID 99601245) is 4-ethyl-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-ethyl-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-ethyl-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-1,3-thiazole-5-carboxamide is CCc1ncsc1C(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O.
What is the InChIKey of 4-ethyl-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is KPMHDESOTSMYLJ-NSHDSACASA-N. The full InChI is InChI=1S/C15H19N5O2S/c1-3-10-13(23-9-16-10)14(21)17-11-5-4-7-20(15(11)22)12-6-8-19(2)18-12/h6,8-9,11H,3-5,7H2,1-2H3,(H,17,21)/t11-/m0/s1.
What are the key properties of 4-ethyl-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-1,3-thiazole-5-carboxamide?
4-ethyl-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 333.42 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 99601245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).