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

C11H15N3O2S — CID 94364000

IUPAC2,4-dimethyl-N-[(3S)-2-oxopiperidin-3-yl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)N[C@H]2CCCNC2=O)s1
InChIInChI=1S/C11H15N3O2S/c1-6-9(17-7(2)13-6)11(16)14-8-4-3-5-12-10(8)15/h8H,3-5H2,1-2H3,(H,12,15)(H,14,16)/t8-/m0/s1
InChIKeyFZBUTQVPGBTCSI-QMMMGPOBSA-N
MW253.33 g/mol
LogP0.77
Rot. Bonds2

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

2,4-dimethyl-N-[(3S)-2-oxopiperidin-3-yl]-1,3-thiazole-5-carboxamide (PubChem CID 94364000) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is 2,4-dimethyl-N-[(3S)-2-oxopiperidin-3-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[(3S)-2-oxopiperidin-3-yl]-1,3-thiazole-5-carboxamide
PubChem CID94364000
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC Name2,4-dimethyl-N-[(3S)-2-oxopiperidin-3-yl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)N[C@H]2CCCNC2=O)s1
InChIInChI=1S/C11H15N3O2S/c1-6-9(17-7(2)13-6)11(16)14-8-4-3-5-12-10(8)15/h8H,3-5H2,1-2H3,(H,12,15)(H,14,16)/t8-/m0/s1
InChIKeyFZBUTQVPGBTCSI-QMMMGPOBSA-N
XLogP0.77
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[(3S)-2-oxopiperidin-3-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2,4-dimethyl-N-[(3S)-2-oxopiperidin-3-yl]-1,3-thiazole-5-carboxamide (CID 94364000) is 2,4-dimethyl-N-[(3S)-2-oxopiperidin-3-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-[(3S)-2-oxopiperidin-3-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-[(3S)-2-oxopiperidin-3-yl]-1,3-thiazole-5-carboxamide is Cc1nc(C)c(C(=O)N[C@H]2CCCNC2=O)s1.
What is the InChIKey of 2,4-dimethyl-N-[(3S)-2-oxopiperidin-3-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is FZBUTQVPGBTCSI-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H15N3O2S/c1-6-9(17-7(2)13-6)11(16)14-8-4-3-5-12-10(8)15/h8H,3-5H2,1-2H3,(H,12,15)(H,14,16)/t8-/m0/s1.
What are the key properties of 2,4-dimethyl-N-[(3S)-2-oxopiperidin-3-yl]-1,3-thiazole-5-carboxamide?
2,4-dimethyl-N-[(3S)-2-oxopiperidin-3-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 253.33 g/mol, XLogP of 0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[(3S)-2-oxopiperidin-3-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 94364000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).