N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide

C20H19N9OS — CID 71810843

IUPACN-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
SMILESO=C(Nc1nc(-c2cccnc2)cs1)C1CCN(c2cc(-n3cncn3)ncn2)CC1
InChIInChI=1S/C20H19N9OS/c30-19(27-20-26-16(10-31-20)15-2-1-5-21-9-15)14-3-6-28(7-4-14)17-8-18(24-12-23-17)29-13-22-11-25-29/h1-2,5,8-14H,3-4,6-7H2,(H,26,27,30)
InChIKeyMXSTZLGJCMBBJA-UHFFFAOYSA-N
MW433.50 g/mol
LogP2.43
Rot. Bonds5

About N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide

N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide (PubChem CID 71810843) has the molecular formula C20H19N9OS and a molecular weight of 433.50 g/mol. Its IUPAC name is N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
PubChem CID71810843
Molecular FormulaC20H19N9OS
Molecular Weight433.50 g/mol
Exact Mass433.14
IUPAC NameN-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
SMILESO=C(Nc1nc(-c2cccnc2)cs1)C1CCN(c2cc(-n3cncn3)ncn2)CC1
InChIInChI=1S/C20H19N9OS/c30-19(27-20-26-16(10-31-20)15-2-1-5-21-9-15)14-3-6-28(7-4-14)17-8-18(24-12-23-17)29-13-22-11-25-29/h1-2,5,8-14H,3-4,6-7H2,(H,26,27,30)
InChIKeyMXSTZLGJCMBBJA-UHFFFAOYSA-N
XLogP2.43
TPSA114.61 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.50
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-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 N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide (CID 71810843) is N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide is O=C(Nc1nc(-c2cccnc2)cs1)C1CCN(c2cc(-n3cncn3)ncn2)CC1.
What is the InChIKey of N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide?
The InChIKey is MXSTZLGJCMBBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N9OS/c30-19(27-20-26-16(10-31-20)15-2-1-5-21-9-15)14-3-6-28(7-4-14)17-8-18(24-12-23-17)29-13-22-11-25-29/h1-2,5,8-14H,3-4,6-7H2,(H,26,27,30).
What are the key properties of N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide?
N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide has a molecular weight of 433.50 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 71810843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).