N-[2-[4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide

C21H20F3N5OS — CID 129046532

IUPACN-[2-[4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1N1CCN(Cc2nccs2)CC1)c1ccccn1
InChIInChI=1S/C21H20F3N5OS/c22-21(23,24)15-4-5-18(17(13-15)27-20(30)16-3-1-2-6-25-16)29-10-8-28(9-11-29)14-19-26-7-12-31-19/h1-7,12-13H,8-11,14H2,(H,27,30)
InChIKeyYDQGRTAVOJGLMI-UHFFFAOYSA-N
MW447.49 g/mol
LogP4.13
Rot. Bonds5

About N-[2-[4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide

N-[2-[4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide (PubChem CID 129046532) has the molecular formula C21H20F3N5OS and a molecular weight of 447.49 g/mol. Its IUPAC name is N-[2-[4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide
PubChem CID129046532
Molecular FormulaC21H20F3N5OS
Molecular Weight447.49 g/mol
Exact Mass447.13
IUPAC NameN-[2-[4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1N1CCN(Cc2nccs2)CC1)c1ccccn1
InChIInChI=1S/C21H20F3N5OS/c22-21(23,24)15-4-5-18(17(13-15)27-20(30)16-3-1-2-6-25-16)29-10-8-28(9-11-29)14-19-26-7-12-31-19/h1-7,12-13H,8-11,14H2,(H,27,30)
InChIKeyYDQGRTAVOJGLMI-UHFFFAOYSA-N
XLogP4.13
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.49
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 51002052
7-[(4-Methylpiperazin-1-yl)carbonyl]-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2-dihydroquinolin-2-one
CID 10194805
N-(2-aminophenyl)-4-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 25023854
N-(2-amino-5-(thiazol-2-yl)phenyl)benzamide
CID 46887333
N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 44217530
N-[4-[(1R,3S)-3-aminocyclohexyl]-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 59455685
N-[4-[(3R,4R)-3-amino-4-fluoropiperidin-1-yl]-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 59455638
1-(2-pyridinylmethyl)-N-[3-(1,3-thiazol-4-yl)phenyl]-4-piperidinecarboxamide
CID 24791083
2-(4-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 1483697
[4-Fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methanone
CID 42606220
N-[6-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]pyridin-3-yl]-1,3-thiazole-4-carboxamide
CID 73673729
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyridine-2-carboxamide
CID 84462506

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The IUPAC name of N-[2-[4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide (CID 129046532) is N-[2-[4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[2-[4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide is O=C(Nc1cc(C(F)(F)F)ccc1N1CCN(Cc2nccs2)CC1)c1ccccn1.
What is the InChIKey of N-[2-[4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The InChIKey is YDQGRTAVOJGLMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N5OS/c22-21(23,24)15-4-5-18(17(13-15)27-20(30)16-3-1-2-6-25-16)29-10-8-28(9-11-29)14-19-26-7-12-31-19/h1-7,12-13H,8-11,14H2,(H,27,30).
What are the key properties of N-[2-[4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
N-[2-[4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide has a molecular weight of 447.49 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 129046532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).