2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(3R)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]acetamide

C16H21N5O2S — CID 99601812

IUPAC2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(3R)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]acetamide
SMILESCc1nc(CC(=O)N[C@@H]2CCCN(c3ccn(C)n3)C2=O)c(C)s1
InChIInChI=1S/C16H21N5O2S/c1-10-13(17-11(2)24-10)9-15(22)18-12-5-4-7-21(16(12)23)14-6-8-20(3)19-14/h6,8,12H,4-5,7,9H2,1-3H3,(H,18,22)/t12-/m1/s1
InChIKeyDHRSLPADNCIDHS-GFCCVEGCSA-N
MW347.44 g/mol
LogP1.35
Rot. Bonds4

About 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(3R)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]acetamide

2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(3R)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]acetamide (PubChem CID 99601812) has the molecular formula C16H21N5O2S and a molecular weight of 347.44 g/mol. Its IUPAC name is 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(3R)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(3R)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]acetamide
PubChem CID99601812
Molecular FormulaC16H21N5O2S
Molecular Weight347.44 g/mol
Exact Mass347.14
IUPAC Name2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(3R)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]acetamide
SMILESCc1nc(CC(=O)N[C@@H]2CCCN(c3ccn(C)n3)C2=O)c(C)s1
InChIInChI=1S/C16H21N5O2S/c1-10-13(17-11(2)24-10)9-15(22)18-12-5-4-7-21(16(12)23)14-6-8-20(3)19-14/h6,8,12H,4-5,7,9H2,1-3H3,(H,18,22)/t12-/m1/s1
InChIKeyDHRSLPADNCIDHS-GFCCVEGCSA-N
XLogP1.35
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(3R)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]acetamide?
The IUPAC name of 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(3R)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]acetamide (CID 99601812) is 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(3R)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]acetamide.
What is the SMILES notation for 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(3R)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]acetamide?
The canonical SMILES for 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(3R)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]acetamide is Cc1nc(CC(=O)N[C@@H]2CCCN(c3ccn(C)n3)C2=O)c(C)s1.
What is the InChIKey of 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(3R)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]acetamide?
The InChIKey is DHRSLPADNCIDHS-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H21N5O2S/c1-10-13(17-11(2)24-10)9-15(22)18-12-5-4-7-21(16(12)23)14-6-8-20(3)19-14/h6,8,12H,4-5,7,9H2,1-3H3,(H,18,22)/t12-/m1/s1.
What are the key properties of 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(3R)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]acetamide?
2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(3R)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]acetamide has a molecular weight of 347.44 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(3R)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]acetamide is sourced from PubChem (CID 99601812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).