N-[4-[2-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide

C15H19N5O2S — CID 56802309

IUPACN-[4-[2-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C(=O)N2CCCCC2Cn2cccn2)cs1
InChIInChI=1S/C15H19N5O2S/c1-11(21)17-15-18-13(10-23-15)14(22)20-8-3-2-5-12(20)9-19-7-4-6-16-19/h4,6-7,10,12H,2-3,5,8-9H2,1H3,(H,17,18,21)
InChIKeyKFWCIQCMCQETLZ-UHFFFAOYSA-N
MW333.42 g/mol
LogP1.99
Rot. Bonds4

About N-[4-[2-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide

N-[4-[2-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 56802309) has the molecular formula C15H19N5O2S and a molecular weight of 333.42 g/mol. Its IUPAC name is N-[4-[2-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide
PubChem CID56802309
Molecular FormulaC15H19N5O2S
Molecular Weight333.42 g/mol
Exact Mass333.13
IUPAC NameN-[4-[2-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C(=O)N2CCCCC2Cn2cccn2)cs1
InChIInChI=1S/C15H19N5O2S/c1-11(21)17-15-18-13(10-23-15)14(22)20-8-3-2-5-12(20)9-19-7-4-6-16-19/h4,6-7,10,12H,2-3,5,8-9H2,1H3,(H,17,18,21)
InChIKeyKFWCIQCMCQETLZ-UHFFFAOYSA-N
XLogP1.99
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-[2-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide (CID 56802309) is N-[4-[2-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-[2-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-[2-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C(=O)N2CCCCC2Cn2cccn2)cs1.
What is the InChIKey of N-[4-[2-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is KFWCIQCMCQETLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2S/c1-11(21)17-15-18-13(10-23-15)14(22)20-8-3-2-5-12(20)9-19-7-4-6-16-19/h4,6-7,10,12H,2-3,5,8-9H2,1H3,(H,17,18,21).
What are the key properties of N-[4-[2-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide?
N-[4-[2-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 333.42 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 56802309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).