2-(2,6-difluorophenyl)-N-[5-[4-(1-hydroxyethyl)piperidin-1-yl]-1,2-thiazol-4-yl]-1,3-thiazole-4-carboxamide

C20H20F2N4O2S2 — CID 71261832

IUPAC2-(2,6-difluorophenyl)-N-[5-[4-(1-hydroxyethyl)piperidin-1-yl]-1,2-thiazol-4-yl]-1,3-thiazole-4-carboxamide
SMILESCC(O)C1CCN(c2sncc2NC(=O)c2csc(-c3c(F)cccc3F)n2)CC1
InChIInChI=1S/C20H20F2N4O2S2/c1-11(27)12-5-7-26(8-6-12)20-15(9-23-30-20)24-18(28)16-10-29-19(25-16)17-13(21)3-2-4-14(17)22/h2-4,9-12,27H,5-8H2,1H3,(H,24,28)
InChIKeyCMPYTKOUBGEJES-UHFFFAOYSA-N
MW450.54 g/mol
LogP4.39
Rot. Bonds5

About 2-(2,6-difluorophenyl)-N-[5-[4-(1-hydroxyethyl)piperidin-1-yl]-1,2-thiazol-4-yl]-1,3-thiazole-4-carboxamide

2-(2,6-difluorophenyl)-N-[5-[4-(1-hydroxyethyl)piperidin-1-yl]-1,2-thiazol-4-yl]-1,3-thiazole-4-carboxamide (PubChem CID 71261832) has the molecular formula C20H20F2N4O2S2 and a molecular weight of 450.54 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-N-[5-[4-(1-hydroxyethyl)piperidin-1-yl]-1,2-thiazol-4-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-N-[5-[4-(1-hydroxyethyl)piperidin-1-yl]-1,2-thiazol-4-yl]-1,3-thiazole-4-carboxamide
PubChem CID71261832
Molecular FormulaC20H20F2N4O2S2
Molecular Weight450.54 g/mol
Exact Mass450.10
IUPAC Name2-(2,6-difluorophenyl)-N-[5-[4-(1-hydroxyethyl)piperidin-1-yl]-1,2-thiazol-4-yl]-1,3-thiazole-4-carboxamide
SMILESCC(O)C1CCN(c2sncc2NC(=O)c2csc(-c3c(F)cccc3F)n2)CC1
InChIInChI=1S/C20H20F2N4O2S2/c1-11(27)12-5-7-26(8-6-12)20-15(9-23-30-20)24-18(28)16-10-29-19(25-16)17-13(21)3-2-4-14(17)22/h2-4,9-12,27H,5-8H2,1H3,(H,24,28)
InChIKeyCMPYTKOUBGEJES-UHFFFAOYSA-N
XLogP4.39
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-(3-azabicyclo[3.2.1]octan-3-yl)-1,2-thiazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 152845077
2-(2,6-difluorophenyl)-N-[5-[3-(hydroxymethyl)morpholin-4-yl]-1,2-thiazol-4-yl]-1,3-thiazole-4-carboxamide
CID 78056493
6-(2,6-difluorophenyl)-N-[5-(4-hydroxypiperidin-1-yl)-1,2-thiazol-4-yl]pyridine-2-carboxamide
CID 71261824
2-(2,6-difluorophenyl)-N-[5-(4-hydroxypentoxy)-1,2-thiazol-4-yl]-1,3-thiazole-4-carboxamide
CID 71261802
2-(2,6-difluorophenyl)-N-[4-(3,3-difluoropiperidin-1-yl)-3-pyridinyl]-1,3-thiazole-4-carboxamide
CID 143858623
N-[5-[(3S,4S,5S)-5-amino-4-methoxy-3-methylazepan-1-yl]-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 90072374
N-[3-(4-aminopiperidine-1-carbonyl)-4-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 177371019
2-(2,6-difluorophenyl)-N-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 90286701
2-(2,6-difluorophenyl)-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide;hydrochloride
CID 126782991
3-amino-6-(2,6-difluorophenyl)-N-[5-(3-hydroxypiperidin-1-yl)-1,2-thiazol-4-yl]pyridine-2-carboxamide
CID 71261836
N-[4-(3,8-diazabicyclo[3.2.1]octane-3-carbonyl)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide;ethane
CID 144524844
N-[4-(1-carbamoylpiperidin-4-yl)oxy-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 71262725

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-N-[5-[4-(1-hydroxyethyl)piperidin-1-yl]-1,2-thiazol-4-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2,6-difluorophenyl)-N-[5-[4-(1-hydroxyethyl)piperidin-1-yl]-1,2-thiazol-4-yl]-1,3-thiazole-4-carboxamide (CID 71261832) is 2-(2,6-difluorophenyl)-N-[5-[4-(1-hydroxyethyl)piperidin-1-yl]-1,2-thiazol-4-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2,6-difluorophenyl)-N-[5-[4-(1-hydroxyethyl)piperidin-1-yl]-1,2-thiazol-4-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2,6-difluorophenyl)-N-[5-[4-(1-hydroxyethyl)piperidin-1-yl]-1,2-thiazol-4-yl]-1,3-thiazole-4-carboxamide is CC(O)C1CCN(c2sncc2NC(=O)c2csc(-c3c(F)cccc3F)n2)CC1.
What is the InChIKey of 2-(2,6-difluorophenyl)-N-[5-[4-(1-hydroxyethyl)piperidin-1-yl]-1,2-thiazol-4-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is CMPYTKOUBGEJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4O2S2/c1-11(27)12-5-7-26(8-6-12)20-15(9-23-30-20)24-18(28)16-10-29-19(25-16)17-13(21)3-2-4-14(17)22/h2-4,9-12,27H,5-8H2,1H3,(H,24,28).
What are the key properties of 2-(2,6-difluorophenyl)-N-[5-[4-(1-hydroxyethyl)piperidin-1-yl]-1,2-thiazol-4-yl]-1,3-thiazole-4-carboxamide?
2-(2,6-difluorophenyl)-N-[5-[4-(1-hydroxyethyl)piperidin-1-yl]-1,2-thiazol-4-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 450.54 g/mol, XLogP of 4.39, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-N-[5-[4-(1-hydroxyethyl)piperidin-1-yl]-1,2-thiazol-4-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71261832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).