2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide

C16H23N5O2S — CID 51104627

IUPAC2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(NC(=O)CN2CCC(c3ccnn3CCO)CC2)n1
InChIInChI=1S/C16H23N5O2S/c1-12-11-24-16(18-12)19-15(23)10-20-6-3-13(4-7-20)14-2-5-17-21(14)8-9-22/h2,5,11,13,22H,3-4,6-10H2,1H3,(H,18,19,23)
InChIKeyRTISSXCBOMBQSO-UHFFFAOYSA-N
MW349.46 g/mol
LogP1.46
Rot. Bonds6

About 2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide

2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 51104627) has the molecular formula C16H23N5O2S and a molecular weight of 349.46 g/mol. Its IUPAC name is 2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID51104627
Molecular FormulaC16H23N5O2S
Molecular Weight349.46 g/mol
Exact Mass349.16
IUPAC Name2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(NC(=O)CN2CCC(c3ccnn3CCO)CC2)n1
InChIInChI=1S/C16H23N5O2S/c1-12-11-24-16(18-12)19-15(23)10-20-6-3-13(4-7-20)14-2-5-17-21(14)8-9-22/h2,5,11,13,22H,3-4,6-10H2,1H3,(H,18,19,23)
InChIKeyRTISSXCBOMBQSO-UHFFFAOYSA-N
XLogP1.46
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 51104627) is 2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is Cc1csc(NC(=O)CN2CCC(c3ccnn3CCO)CC2)n1.
What is the InChIKey of 2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is RTISSXCBOMBQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2S/c1-12-11-24-16(18-12)19-15(23)10-20-6-3-13(4-7-20)14-2-5-17-21(14)8-9-22/h2,5,11,13,22H,3-4,6-10H2,1H3,(H,18,19,23).
What are the key properties of 2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 349.46 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 51104627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).