N-[[1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-4-yl]methyl]-1,3-thiazole-5-carboxamide

C15H21N5OS — CID 131927635

IUPACN-[[1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-4-yl]methyl]-1,3-thiazole-5-carboxamide
SMILESCc1cc(CN2CCC(CNC(=O)c3cncs3)CC2)n[nH]1
InChIInChI=1S/C15H21N5OS/c1-11-6-13(19-18-11)9-20-4-2-12(3-5-20)7-17-15(21)14-8-16-10-22-14/h6,8,10,12H,2-5,7,9H2,1H3,(H,17,21)(H,18,19)
InChIKeyJSLINXYRVGHGJY-UHFFFAOYSA-N
MW319.43 g/mol
LogP1.82
Rot. Bonds5

About N-[[1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-4-yl]methyl]-1,3-thiazole-5-carboxamide

N-[[1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-4-yl]methyl]-1,3-thiazole-5-carboxamide (PubChem CID 131927635) has the molecular formula C15H21N5OS and a molecular weight of 319.43 g/mol. Its IUPAC name is N-[[1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-4-yl]methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[[1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-4-yl]methyl]-1,3-thiazole-5-carboxamide
PubChem CID131927635
Molecular FormulaC15H21N5OS
Molecular Weight319.43 g/mol
Exact Mass319.15
IUPAC NameN-[[1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-4-yl]methyl]-1,3-thiazole-5-carboxamide
SMILESCc1cc(CN2CCC(CNC(=O)c3cncs3)CC2)n[nH]1
InChIInChI=1S/C15H21N5OS/c1-11-6-13(19-18-11)9-20-4-2-12(3-5-20)7-17-15(21)14-8-16-10-22-14/h6,8,10,12H,2-5,7,9H2,1H3,(H,17,21)(H,18,19)
InChIKeyJSLINXYRVGHGJY-UHFFFAOYSA-N
XLogP1.82
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-4-yl]methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[[1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-4-yl]methyl]-1,3-thiazole-5-carboxamide (CID 131927635) is N-[[1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-4-yl]methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[[1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-4-yl]methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[[1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-4-yl]methyl]-1,3-thiazole-5-carboxamide is Cc1cc(CN2CCC(CNC(=O)c3cncs3)CC2)n[nH]1.
What is the InChIKey of N-[[1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-4-yl]methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is JSLINXYRVGHGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5OS/c1-11-6-13(19-18-11)9-20-4-2-12(3-5-20)7-17-15(21)14-8-16-10-22-14/h6,8,10,12H,2-5,7,9H2,1H3,(H,17,21)(H,18,19).
What are the key properties of N-[[1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-4-yl]methyl]-1,3-thiazole-5-carboxamide?
N-[[1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-4-yl]methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 319.43 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-4-yl]methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 131927635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).