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

C17H23N5O3S — CID 99814262

IUPAC2-[(1S)-1-methoxyethyl]-4-methyl-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-1,3-thiazole-5-carboxamide
SMILESCO[C@@H](C)c1nc(C)c(C(=O)N[C@H]2CCCN(c3ccn(C)n3)C2=O)s1
InChIInChI=1S/C17H23N5O3S/c1-10-14(26-16(18-10)11(2)25-4)15(23)19-12-6-5-8-22(17(12)24)13-7-9-21(3)20-13/h7,9,11-12H,5-6,8H2,1-4H3,(H,19,23)/t11-,12-/m0/s1
InChIKeyDVCSUDRMXVGTGO-RYUDHWBXSA-N
MW377.47 g/mol
LogP1.82
Rot. Bonds5

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

2-[(1S)-1-methoxyethyl]-4-methyl-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-1,3-thiazole-5-carboxamide (PubChem CID 99814262) has the molecular formula C17H23N5O3S and a molecular weight of 377.47 g/mol. Its IUPAC name is 2-[(1S)-1-methoxyethyl]-4-methyl-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[(1S)-1-methoxyethyl]-4-methyl-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-1,3-thiazole-5-carboxamide
PubChem CID99814262
Molecular FormulaC17H23N5O3S
Molecular Weight377.47 g/mol
Exact Mass377.15
IUPAC Name2-[(1S)-1-methoxyethyl]-4-methyl-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-1,3-thiazole-5-carboxamide
SMILESCO[C@@H](C)c1nc(C)c(C(=O)N[C@H]2CCCN(c3ccn(C)n3)C2=O)s1
InChIInChI=1S/C17H23N5O3S/c1-10-14(26-16(18-10)11(2)25-4)15(23)19-12-6-5-8-22(17(12)24)13-7-9-21(3)20-13/h7,9,11-12H,5-6,8H2,1-4H3,(H,19,23)/t11-,12-/m0/s1
InChIKeyDVCSUDRMXVGTGO-RYUDHWBXSA-N
XLogP1.82
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[(1S)-1-methoxyethyl]-4-methyl-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-1,3-thiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-methoxyethyl]-4-methyl-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[(1S)-1-methoxyethyl]-4-methyl-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-1,3-thiazole-5-carboxamide (CID 99814262) is 2-[(1S)-1-methoxyethyl]-4-methyl-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[(1S)-1-methoxyethyl]-4-methyl-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[(1S)-1-methoxyethyl]-4-methyl-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-1,3-thiazole-5-carboxamide is CO[C@@H](C)c1nc(C)c(C(=O)N[C@H]2CCCN(c3ccn(C)n3)C2=O)s1.
What is the InChIKey of 2-[(1S)-1-methoxyethyl]-4-methyl-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is DVCSUDRMXVGTGO-RYUDHWBXSA-N. The full InChI is InChI=1S/C17H23N5O3S/c1-10-14(26-16(18-10)11(2)25-4)15(23)19-12-6-5-8-22(17(12)24)13-7-9-21(3)20-13/h7,9,11-12H,5-6,8H2,1-4H3,(H,19,23)/t11-,12-/m0/s1.
What are the key properties of 2-[(1S)-1-methoxyethyl]-4-methyl-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-1,3-thiazole-5-carboxamide?
2-[(1S)-1-methoxyethyl]-4-methyl-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 377.47 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-methoxyethyl]-4-methyl-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 99814262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).