N-(5-tert-butyl-1,3-thiazol-2-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide

C16H23N5OS — CID 120930905

IUPACN-(5-tert-butyl-1,3-thiazol-2-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESCC(C)(C)c1cnc(NC(=O)C2(n3cccn3)CCNCC2)s1
InChIInChI=1S/C16H23N5OS/c1-15(2,3)12-11-18-14(23-12)20-13(22)16(5-8-17-9-6-16)21-10-4-7-19-21/h4,7,10-11,17H,5-6,8-9H2,1-3H3,(H,18,20,22)
InChIKeyCQNGNWFRPYJQIA-UHFFFAOYSA-N
MW333.46 g/mol
LogP2.35
Rot. Bonds3

About N-(5-tert-butyl-1,3-thiazol-2-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide

N-(5-tert-butyl-1,3-thiazol-2-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide (PubChem CID 120930905) has the molecular formula C16H23N5OS and a molecular weight of 333.46 g/mol. Its IUPAC name is N-(5-tert-butyl-1,3-thiazol-2-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,3-thiazol-2-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide
PubChem CID120930905
Molecular FormulaC16H23N5OS
Molecular Weight333.46 g/mol
Exact Mass333.16
IUPAC NameN-(5-tert-butyl-1,3-thiazol-2-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESCC(C)(C)c1cnc(NC(=O)C2(n3cccn3)CCNCC2)s1
InChIInChI=1S/C16H23N5OS/c1-15(2,3)12-11-18-14(23-12)20-13(22)16(5-8-17-9-6-16)21-10-4-7-19-21/h4,7,10-11,17H,5-6,8-9H2,1-3H3,(H,18,20,22)
InChIKeyCQNGNWFRPYJQIA-UHFFFAOYSA-N
XLogP2.35
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,3-thiazol-2-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide?
The IUPAC name of N-(5-tert-butyl-1,3-thiazol-2-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide (CID 120930905) is N-(5-tert-butyl-1,3-thiazol-2-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-(5-tert-butyl-1,3-thiazol-2-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide?
The canonical SMILES for N-(5-tert-butyl-1,3-thiazol-2-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide is CC(C)(C)c1cnc(NC(=O)C2(n3cccn3)CCNCC2)s1.
What is the InChIKey of N-(5-tert-butyl-1,3-thiazol-2-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide?
The InChIKey is CQNGNWFRPYJQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5OS/c1-15(2,3)12-11-18-14(23-12)20-13(22)16(5-8-17-9-6-16)21-10-4-7-19-21/h4,7,10-11,17H,5-6,8-9H2,1-3H3,(H,18,20,22).
What are the key properties of N-(5-tert-butyl-1,3-thiazol-2-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide?
N-(5-tert-butyl-1,3-thiazol-2-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide has a molecular weight of 333.46 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1,3-thiazol-2-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide is sourced from PubChem (CID 120930905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).