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

C21H24F5N5OS — CID 156735184

IUPACN-[(3,5-difluoro-2-pyridinyl)methyl]-2-(4-piperidin-1-ylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESO=C(NCc1ncc(F)cc1F)c1sc(N2CCC(N3CCCCC3)CC2)nc1C(F)(F)F
InChIInChI=1S/C21H24F5N5OS/c22-13-10-15(23)16(27-11-13)12-28-19(32)17-18(21(24,25)26)29-20(33-17)31-8-4-14(5-9-31)30-6-2-1-3-7-30/h10-11,14H,1-9,12H2,(H,28,32)
InChIKeyXWPXDNOTVLXMRZ-UHFFFAOYSA-N
MW489.51 g/mol
LogP4.22
Rot. Bonds5

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

N-[(3,5-difluoro-2-pyridinyl)methyl]-2-(4-piperidin-1-ylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (PubChem CID 156735184) has the molecular formula C21H24F5N5OS and a molecular weight of 489.51 g/mol. Its IUPAC name is N-[(3,5-difluoro-2-pyridinyl)methyl]-2-(4-piperidin-1-ylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3,5-difluoro-2-pyridinyl)methyl]-2-(4-piperidin-1-ylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
PubChem CID156735184
Molecular FormulaC21H24F5N5OS
Molecular Weight489.51 g/mol
Exact Mass489.16
IUPAC NameN-[(3,5-difluoro-2-pyridinyl)methyl]-2-(4-piperidin-1-ylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESO=C(NCc1ncc(F)cc1F)c1sc(N2CCC(N3CCCCC3)CC2)nc1C(F)(F)F
InChIInChI=1S/C21H24F5N5OS/c22-13-10-15(23)16(27-11-13)12-28-19(32)17-18(21(24,25)26)29-20(33-17)31-8-4-14(5-9-31)30-6-2-1-3-7-30/h10-11,14H,1-9,12H2,(H,28,32)
InChIKeyXWPXDNOTVLXMRZ-UHFFFAOYSA-N
XLogP4.22
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.51
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3,5-difluoro-2-pyridinyl)methyl]-2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-thiazole-4-carboxamide
CID 156735206
N-[(3,5-difluoro-2-pyridinyl)methyl]-4-ethyl-2-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide
CID 156735061
N-[(3,5-difluoro-2-pyridinyl)methyl]-5-methyl-2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-oxazole-4-carboxamide
CID 162435038
2-[4-[(3R)-3-(cyclobutylmethoxy)piperidin-1-yl]piperidin-1-yl]-N-[(3,5-difluoro-2-pyridinyl)methyl]-1,3-thiazole-5-carboxamide
CID 162435001
N-[1-(3,5-difluoro-2-pyridinyl)ethyl]-2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-thiazole-5-carboxamide
CID 166933429
1-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]propan-2-one
CID 58579665
N-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]cyclopentanecarboxamide
CID 58579700
(Z)-N-[(3,5-difluoro-2-pyridinyl)methyl]-3-[1-[4-(3-methylpiperidin-1-yl)piperidin-1-yl]ethylideneamino]-2-sulfanylprop-2-enamide
CID 156735147
N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 67293734
[2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-thiazol-5-yl]methanol
CID 62753857
2-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)-1,3-benzothiazole
CID 133318192
6-(2-fluorophenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine
CID 46245061

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluoro-2-pyridinyl)methyl]-2-(4-piperidin-1-ylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(3,5-difluoro-2-pyridinyl)methyl]-2-(4-piperidin-1-ylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (CID 156735184) is N-[(3,5-difluoro-2-pyridinyl)methyl]-2-(4-piperidin-1-ylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(3,5-difluoro-2-pyridinyl)methyl]-2-(4-piperidin-1-ylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(3,5-difluoro-2-pyridinyl)methyl]-2-(4-piperidin-1-ylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is O=C(NCc1ncc(F)cc1F)c1sc(N2CCC(N3CCCCC3)CC2)nc1C(F)(F)F.
What is the InChIKey of N-[(3,5-difluoro-2-pyridinyl)methyl]-2-(4-piperidin-1-ylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is XWPXDNOTVLXMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F5N5OS/c22-13-10-15(23)16(27-11-13)12-28-19(32)17-18(21(24,25)26)29-20(33-17)31-8-4-14(5-9-31)30-6-2-1-3-7-30/h10-11,14H,1-9,12H2,(H,28,32).
What are the key properties of N-[(3,5-difluoro-2-pyridinyl)methyl]-2-(4-piperidin-1-ylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
N-[(3,5-difluoro-2-pyridinyl)methyl]-2-(4-piperidin-1-ylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 489.51 g/mol, XLogP of 4.22, 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)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 156735184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).