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

C20H25F2N5OS — CID 156735206

IUPACN-[(3,5-difluoro-2-pyridinyl)methyl]-2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1ncc(F)cc1F)c1csc(N2CCC(N3CCCCC3)CC2)n1
InChIInChI=1S/C20H25F2N5OS/c21-14-10-16(22)17(23-11-14)12-24-19(28)18-13-29-20(25-18)27-8-4-15(5-9-27)26-6-2-1-3-7-26/h10-11,13,15H,1-9,12H2,(H,24,28)
InChIKeyZVZICMXMENGASV-UHFFFAOYSA-N
MW421.52 g/mol
LogP3.20
Rot. Bonds5

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

N-[(3,5-difluoro-2-pyridinyl)methyl]-2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-thiazole-4-carboxamide (PubChem CID 156735206) has the molecular formula C20H25F2N5OS and a molecular weight of 421.52 g/mol. Its IUPAC name is N-[(3,5-difluoro-2-pyridinyl)methyl]-2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3,5-difluoro-2-pyridinyl)methyl]-2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-thiazole-4-carboxamide
PubChem CID156735206
Molecular FormulaC20H25F2N5OS
Molecular Weight421.52 g/mol
Exact Mass421.17
IUPAC NameN-[(3,5-difluoro-2-pyridinyl)methyl]-2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1ncc(F)cc1F)c1csc(N2CCC(N3CCCCC3)CC2)n1
InChIInChI=1S/C20H25F2N5OS/c21-14-10-16(22)17(23-11-14)12-24-19(28)18-13-29-20(25-18)27-8-4-15(5-9-27)26-6-2-1-3-7-26/h10-11,13,15H,1-9,12H2,(H,24,28)
InChIKeyZVZICMXMENGASV-UHFFFAOYSA-N
XLogP3.20
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluoro-2-pyridinyl)methyl]-2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(3,5-difluoro-2-pyridinyl)methyl]-2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-thiazole-4-carboxamide (CID 156735206) is N-[(3,5-difluoro-2-pyridinyl)methyl]-2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(3,5-difluoro-2-pyridinyl)methyl]-2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(3,5-difluoro-2-pyridinyl)methyl]-2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-thiazole-4-carboxamide is O=C(NCc1ncc(F)cc1F)c1csc(N2CCC(N3CCCCC3)CC2)n1.
What is the InChIKey of N-[(3,5-difluoro-2-pyridinyl)methyl]-2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is ZVZICMXMENGASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F2N5OS/c21-14-10-16(22)17(23-11-14)12-24-19(28)18-13-29-20(25-18)27-8-4-15(5-9-27)26-6-2-1-3-7-26/h10-11,13,15H,1-9,12H2,(H,24,28).
What are the key properties of N-[(3,5-difluoro-2-pyridinyl)methyl]-2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-thiazole-4-carboxamide?
N-[(3,5-difluoro-2-pyridinyl)methyl]-2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 421.52 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluoro-2-pyridinyl)methyl]-2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 156735206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).