N-[1-(3,5-difluoro-2-pyridinyl)ethyl]-2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-thiazole-5-carboxamide

C21H27F2N5OS — CID 166933429

IUPACN-[1-(3,5-difluoro-2-pyridinyl)ethyl]-2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-thiazole-5-carboxamide
SMILESCC(NC(=O)c1cnc(N2CCC(N3CCCCC3)CC2)s1)c1ncc(F)cc1F
InChIInChI=1S/C21H27F2N5OS/c1-14(19-17(23)11-15(22)12-24-19)26-20(29)18-13-25-21(30-18)28-9-5-16(6-10-28)27-7-3-2-4-8-27/h11-14,16H,2-10H2,1H3,(H,26,29)
InChIKeyMVZXOLSJIQCUQJ-UHFFFAOYSA-N
MW435.54 g/mol
LogP3.76
Rot. Bonds5

About N-[1-(3,5-difluoro-2-pyridinyl)ethyl]-2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-thiazole-5-carboxamide

N-[1-(3,5-difluoro-2-pyridinyl)ethyl]-2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-thiazole-5-carboxamide (PubChem CID 166933429) has the molecular formula C21H27F2N5OS and a molecular weight of 435.54 g/mol. Its IUPAC name is N-[1-(3,5-difluoro-2-pyridinyl)ethyl]-2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(3,5-difluoro-2-pyridinyl)ethyl]-2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-thiazole-5-carboxamide
PubChem CID166933429
Molecular FormulaC21H27F2N5OS
Molecular Weight435.54 g/mol
Exact Mass435.19
IUPAC NameN-[1-(3,5-difluoro-2-pyridinyl)ethyl]-2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-thiazole-5-carboxamide
SMILESCC(NC(=O)c1cnc(N2CCC(N3CCCCC3)CC2)s1)c1ncc(F)cc1F
InChIInChI=1S/C21H27F2N5OS/c1-14(19-17(23)11-15(22)12-24-19)26-20(29)18-13-25-21(30-18)28-9-5-16(6-10-28)27-7-3-2-4-8-27/h11-14,16H,2-10H2,1H3,(H,26,29)
InChIKeyMVZXOLSJIQCUQJ-UHFFFAOYSA-N
XLogP3.76
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.54
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-(3,5-difluoro-2-pyridinyl)ethyl]-2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-thiazole-5-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-[1-(3,5-difluoro-2-pyridinyl)ethyl]-2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[1-(3,5-difluoro-2-pyridinyl)ethyl]-2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-thiazole-5-carboxamide (CID 166933429) is N-[1-(3,5-difluoro-2-pyridinyl)ethyl]-2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[1-(3,5-difluoro-2-pyridinyl)ethyl]-2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[1-(3,5-difluoro-2-pyridinyl)ethyl]-2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-thiazole-5-carboxamide is CC(NC(=O)c1cnc(N2CCC(N3CCCCC3)CC2)s1)c1ncc(F)cc1F.
What is the InChIKey of N-[1-(3,5-difluoro-2-pyridinyl)ethyl]-2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is MVZXOLSJIQCUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27F2N5OS/c1-14(19-17(23)11-15(22)12-24-19)26-20(29)18-13-25-21(30-18)28-9-5-16(6-10-28)27-7-3-2-4-8-27/h11-14,16H,2-10H2,1H3,(H,26,29).
What are the key properties of N-[1-(3,5-difluoro-2-pyridinyl)ethyl]-2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-thiazole-5-carboxamide?
N-[1-(3,5-difluoro-2-pyridinyl)ethyl]-2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 435.54 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-difluoro-2-pyridinyl)ethyl]-2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 166933429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).