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

C16H21N5O3S — CID 99638958

IUPAC2-(methoxymethyl)-4-methyl-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-1,3-thiazole-5-carboxamide
SMILESCOCc1nc(C)c(C(=O)N[C@H]2CCCN(c3ccn(C)n3)C2=O)s1
InChIInChI=1S/C16H21N5O3S/c1-10-14(25-13(17-10)9-24-3)15(22)18-11-5-4-7-21(16(11)23)12-6-8-20(2)19-12/h6,8,11H,4-5,7,9H2,1-3H3,(H,18,22)/t11-/m0/s1
InChIKeyQYPJRQPJRLXYLF-NSHDSACASA-N
MW363.44 g/mol
LogP1.26
Rot. Bonds5

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

2-(methoxymethyl)-4-methyl-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-1,3-thiazole-5-carboxamide (PubChem CID 99638958) has the molecular formula C16H21N5O3S and a molecular weight of 363.44 g/mol. Its IUPAC name is 2-(methoxymethyl)-4-methyl-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(methoxymethyl)-4-methyl-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-1,3-thiazole-5-carboxamide
PubChem CID99638958
Molecular FormulaC16H21N5O3S
Molecular Weight363.44 g/mol
Exact Mass363.14
IUPAC Name2-(methoxymethyl)-4-methyl-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-1,3-thiazole-5-carboxamide
SMILESCOCc1nc(C)c(C(=O)N[C@H]2CCCN(c3ccn(C)n3)C2=O)s1
InChIInChI=1S/C16H21N5O3S/c1-10-14(25-13(17-10)9-24-3)15(22)18-11-5-4-7-21(16(11)23)12-6-8-20(2)19-12/h6,8,11H,4-5,7,9H2,1-3H3,(H,18,22)/t11-/m0/s1
InChIKeyQYPJRQPJRLXYLF-NSHDSACASA-N
XLogP1.26
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-4-methyl-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(methoxymethyl)-4-methyl-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-1,3-thiazole-5-carboxamide (CID 99638958) is 2-(methoxymethyl)-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-(methoxymethyl)-4-methyl-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(methoxymethyl)-4-methyl-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-1,3-thiazole-5-carboxamide is COCc1nc(C)c(C(=O)N[C@H]2CCCN(c3ccn(C)n3)C2=O)s1.
What is the InChIKey of 2-(methoxymethyl)-4-methyl-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is QYPJRQPJRLXYLF-NSHDSACASA-N. The full InChI is InChI=1S/C16H21N5O3S/c1-10-14(25-13(17-10)9-24-3)15(22)18-11-5-4-7-21(16(11)23)12-6-8-20(2)19-12/h6,8,11H,4-5,7,9H2,1-3H3,(H,18,22)/t11-/m0/s1.
What are the key properties of 2-(methoxymethyl)-4-methyl-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-1,3-thiazole-5-carboxamide?
2-(methoxymethyl)-4-methyl-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 363.44 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-4-methyl-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 99638958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).