4-(2-piperazin-1-ylpropan-2-yl)-2-pyridin-3-yl-1,3-thiazole;N-(2,2,2-trifluoroethyl)formamide

C18H24F3N5OS — CID 142065869

IUPAC4-(2-piperazin-1-ylpropan-2-yl)-2-pyridin-3-yl-1,3-thiazole;N-(2,2,2-trifluoroethyl)formamide
SMILESCC(C)(c1csc(-c2cccnc2)n1)N1CCNCC1.O=CNCC(F)(F)F
InChIInChI=1S/C15H20N4S.C3H4F3NO/c1-15(2,19-8-6-16-7-9-19)13-11-20-14(18-13)12-4-3-5-17-10-12;4-3(5,6)1-7-2-8/h3-5,10-11,16H,6-9H2,1-2H3;2H,1H2,(H,7,8)
InChIKeyJNCVKRFKQASUTD-UHFFFAOYSA-N
MW415.49 g/mol
LogP2.64
Rot. Bonds5

About 4-(2-piperazin-1-ylpropan-2-yl)-2-pyridin-3-yl-1,3-thiazole;N-(2,2,2-trifluoroethyl)formamide

4-(2-piperazin-1-ylpropan-2-yl)-2-pyridin-3-yl-1,3-thiazole;N-(2,2,2-trifluoroethyl)formamide (PubChem CID 142065869) has the molecular formula C18H24F3N5OS and a molecular weight of 415.49 g/mol. Its IUPAC name is 4-(2-piperazin-1-ylpropan-2-yl)-2-pyridin-3-yl-1,3-thiazole;N-(2,2,2-trifluoroethyl)formamide.

Molecular Properties

Compound Name4-(2-piperazin-1-ylpropan-2-yl)-2-pyridin-3-yl-1,3-thiazole;N-(2,2,2-trifluoroethyl)formamide
PubChem CID142065869
Molecular FormulaC18H24F3N5OS
Molecular Weight415.49 g/mol
Exact Mass415.17
IUPAC Name4-(2-piperazin-1-ylpropan-2-yl)-2-pyridin-3-yl-1,3-thiazole;N-(2,2,2-trifluoroethyl)formamide
SMILESCC(C)(c1csc(-c2cccnc2)n1)N1CCNCC1.O=CNCC(F)(F)F
InChIInChI=1S/C15H20N4S.C3H4F3NO/c1-15(2,19-8-6-16-7-9-19)13-11-20-14(18-13)12-4-3-5-17-10-12;4-3(5,6)1-7-2-8/h3-5,10-11,16H,6-9H2,1-2H3;2H,1H2,(H,7,8)
InChIKeyJNCVKRFKQASUTD-UHFFFAOYSA-N
XLogP2.64
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-piperazin-1-yl-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone
CID 39161804
2-methyl-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanenitrile
CID 116890180
3-(2-piperazin-1-ylpropan-2-yl)-5-pyridin-3-yl-1,2,4-oxadiazole
CID 63343116
2-(2-piperazin-1-ylpropan-2-yl)-5-(5-propyl-3-pyridinyl)-1,3-oxazole;N-(2,2,2-trifluoroethyl)formamide
CID 142065690
2-methyl-4-(2-piperazin-1-ylpropan-2-yl)-1,3-thiazole
CID 116891623
N-(2-hydroxy-2-methylpropyl)-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide
CID 110626848
(2S)-1-[(2S)-4-benzyl-2-hydroxy-5-[[(3S,4S)-3-hydroxy-3,4-dihydro-2H-chromen-4-yl]amino]-5-oxopentyl]-4-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)propan-2-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide
CID 70099574
N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 61280471
N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 55720543
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 120644231
1-(2-pyridin-3-ylpiperazin-1-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone
CID 120728863
N-(1-hydroxy-3-methylpentan-3-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 110002674

Frequently Asked Questions

What is the IUPAC name of 4-(2-piperazin-1-ylpropan-2-yl)-2-pyridin-3-yl-1,3-thiazole;N-(2,2,2-trifluoroethyl)formamide?
The IUPAC name of 4-(2-piperazin-1-ylpropan-2-yl)-2-pyridin-3-yl-1,3-thiazole;N-(2,2,2-trifluoroethyl)formamide (CID 142065869) is 4-(2-piperazin-1-ylpropan-2-yl)-2-pyridin-3-yl-1,3-thiazole;N-(2,2,2-trifluoroethyl)formamide.
What is the SMILES notation for 4-(2-piperazin-1-ylpropan-2-yl)-2-pyridin-3-yl-1,3-thiazole;N-(2,2,2-trifluoroethyl)formamide?
The canonical SMILES for 4-(2-piperazin-1-ylpropan-2-yl)-2-pyridin-3-yl-1,3-thiazole;N-(2,2,2-trifluoroethyl)formamide is CC(C)(c1csc(-c2cccnc2)n1)N1CCNCC1.O=CNCC(F)(F)F.
What is the InChIKey of 4-(2-piperazin-1-ylpropan-2-yl)-2-pyridin-3-yl-1,3-thiazole;N-(2,2,2-trifluoroethyl)formamide?
The InChIKey is JNCVKRFKQASUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4S.C3H4F3NO/c1-15(2,19-8-6-16-7-9-19)13-11-20-14(18-13)12-4-3-5-17-10-12;4-3(5,6)1-7-2-8/h3-5,10-11,16H,6-9H2,1-2H3;2H,1H2,(H,7,8).
What are the key properties of 4-(2-piperazin-1-ylpropan-2-yl)-2-pyridin-3-yl-1,3-thiazole;N-(2,2,2-trifluoroethyl)formamide?
4-(2-piperazin-1-ylpropan-2-yl)-2-pyridin-3-yl-1,3-thiazole;N-(2,2,2-trifluoroethyl)formamide has a molecular weight of 415.49 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-piperazin-1-ylpropan-2-yl)-2-pyridin-3-yl-1,3-thiazole;N-(2,2,2-trifluoroethyl)formamide is sourced from PubChem (CID 142065869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).