N-[3-(4-aminopiperidine-1-carbonyl)-4-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide

C21H19F2N5O2S — CID 177371019

IUPACN-[3-(4-aminopiperidine-1-carbonyl)-4-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
SMILESNC1CCN(C(=O)c2cnccc2NC(=O)c2csc(-c3c(F)cccc3F)n2)CC1
InChIInChI=1S/C21H19F2N5O2S/c22-14-2-1-3-15(23)18(14)20-27-17(11-31-20)19(29)26-16-4-7-25-10-13(16)21(30)28-8-5-12(24)6-9-28/h1-4,7,10-12H,5-6,8-9,24H2,(H,25,26,29)
InChIKeyMVAFASHSTFGXGS-UHFFFAOYSA-N
MW443.48 g/mol
LogP3.30
Rot. Bonds4

About N-[3-(4-aminopiperidine-1-carbonyl)-4-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide

N-[3-(4-aminopiperidine-1-carbonyl)-4-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide (PubChem CID 177371019) has the molecular formula C21H19F2N5O2S and a molecular weight of 443.48 g/mol. Its IUPAC name is N-[3-(4-aminopiperidine-1-carbonyl)-4-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(4-aminopiperidine-1-carbonyl)-4-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
PubChem CID177371019
Molecular FormulaC21H19F2N5O2S
Molecular Weight443.48 g/mol
Exact Mass443.12
IUPAC NameN-[3-(4-aminopiperidine-1-carbonyl)-4-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
SMILESNC1CCN(C(=O)c2cnccc2NC(=O)c2csc(-c3c(F)cccc3F)n2)CC1
InChIInChI=1S/C21H19F2N5O2S/c22-14-2-1-3-15(23)18(14)20-27-17(11-31-20)19(29)26-16-4-7-25-10-13(16)21(30)28-8-5-12(24)6-9-28/h1-4,7,10-12H,5-6,8-9,24H2,(H,25,26,29)
InChIKeyMVAFASHSTFGXGS-UHFFFAOYSA-N
XLogP3.30
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.48
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-(4-aminopiperidine-1-carbonyl)-4-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-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-[3-(4-aminopiperidine-1-carbonyl)-4-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[3-(4-aminopiperidine-1-carbonyl)-4-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide (CID 177371019) is N-[3-(4-aminopiperidine-1-carbonyl)-4-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[3-(4-aminopiperidine-1-carbonyl)-4-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[3-(4-aminopiperidine-1-carbonyl)-4-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide is NC1CCN(C(=O)c2cnccc2NC(=O)c2csc(-c3c(F)cccc3F)n2)CC1.
What is the InChIKey of N-[3-(4-aminopiperidine-1-carbonyl)-4-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is MVAFASHSTFGXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N5O2S/c22-14-2-1-3-15(23)18(14)20-27-17(11-31-20)19(29)26-16-4-7-25-10-13(16)21(30)28-8-5-12(24)6-9-28/h1-4,7,10-12H,5-6,8-9,24H2,(H,25,26,29).
What are the key properties of N-[3-(4-aminopiperidine-1-carbonyl)-4-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide?
N-[3-(4-aminopiperidine-1-carbonyl)-4-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 443.48 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-aminopiperidine-1-carbonyl)-4-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 177371019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).