4-ethyl-4-hydroxy-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]piperidine-1-carboxamide

C14H19N5O2S — CID 154863935

IUPAC4-ethyl-4-hydroxy-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]piperidine-1-carboxamide
SMILESCCC1(O)CCN(C(=O)Nc2cn[nH]c2-c2nccs2)CC1
InChIInChI=1S/C14H19N5O2S/c1-2-14(21)3-6-19(7-4-14)13(20)17-10-9-16-18-11(10)12-15-5-8-22-12/h5,8-9,21H,2-4,6-7H2,1H3,(H,16,18)(H,17,20)
InChIKeyKXONQMMROAIZPS-UHFFFAOYSA-N
MW321.41 g/mol
LogP2.30
Rot. Bonds3

About 4-ethyl-4-hydroxy-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]piperidine-1-carboxamide

4-ethyl-4-hydroxy-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]piperidine-1-carboxamide (PubChem CID 154863935) has the molecular formula C14H19N5O2S and a molecular weight of 321.41 g/mol. Its IUPAC name is 4-ethyl-4-hydroxy-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-ethyl-4-hydroxy-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]piperidine-1-carboxamide
PubChem CID154863935
Molecular FormulaC14H19N5O2S
Molecular Weight321.41 g/mol
Exact Mass321.13
IUPAC Name4-ethyl-4-hydroxy-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]piperidine-1-carboxamide
SMILESCCC1(O)CCN(C(=O)Nc2cn[nH]c2-c2nccs2)CC1
InChIInChI=1S/C14H19N5O2S/c1-2-14(21)3-6-19(7-4-14)13(20)17-10-9-16-18-11(10)12-15-5-8-22-12/h5,8-9,21H,2-4,6-7H2,1H3,(H,16,18)(H,17,20)
InChIKeyKXONQMMROAIZPS-UHFFFAOYSA-N
XLogP2.30
TPSA94.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-ethyl-4-hydroxy-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]piperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4-hydroxy-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]piperidine-1-carboxamide?
The IUPAC name of 4-ethyl-4-hydroxy-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]piperidine-1-carboxamide (CID 154863935) is 4-ethyl-4-hydroxy-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]piperidine-1-carboxamide.
What is the SMILES notation for 4-ethyl-4-hydroxy-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]piperidine-1-carboxamide?
The canonical SMILES for 4-ethyl-4-hydroxy-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]piperidine-1-carboxamide is CCC1(O)CCN(C(=O)Nc2cn[nH]c2-c2nccs2)CC1.
What is the InChIKey of 4-ethyl-4-hydroxy-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]piperidine-1-carboxamide?
The InChIKey is KXONQMMROAIZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2S/c1-2-14(21)3-6-19(7-4-14)13(20)17-10-9-16-18-11(10)12-15-5-8-22-12/h5,8-9,21H,2-4,6-7H2,1H3,(H,16,18)(H,17,20).
What are the key properties of 4-ethyl-4-hydroxy-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]piperidine-1-carboxamide?
4-ethyl-4-hydroxy-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]piperidine-1-carboxamide has a molecular weight of 321.41 g/mol, XLogP of 2.30, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4-hydroxy-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]piperidine-1-carboxamide is sourced from PubChem (CID 154863935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).