(2R)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-[(2-methyl-3-pyridinyl)sulfonyl]piperidine-2-carboxamide;2,2,2-trifluoroacetic acid

C24H25F3N4O6S2 — CID 54765452

IUPAC(2R)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-[(2-methyl-3-pyridinyl)sulfonyl]piperidine-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCOc1ccc(-c2csc(NC(=O)[C@H]3CCCCN3S(=O)(=O)c3cccnc3C)n2)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C22H24N4O4S2.C2HF3O2/c1-15-20(7-5-12-23-15)32(28,29)26-13-4-3-6-19(26)21(27)25-22-24-18(14-31-22)16-8-10-17(30-2)11-9-16;3-2(4,5)1(6)7/h5,7-12,14,19H,3-4,6,13H2,1-2H3,(H,24,25,27);(H,6,7)/t19-;/m1./s1
InChIKeyYRFYVLAFYNLGGL-FSRHSHDFSA-N
MW586.61 g/mol
LogP4.34
Rot. Bonds6

About (2R)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-[(2-methyl-3-pyridinyl)sulfonyl]piperidine-2-carboxamide;2,2,2-trifluoroacetic acid

(2R)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-[(2-methyl-3-pyridinyl)sulfonyl]piperidine-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 54765452) has the molecular formula C24H25F3N4O6S2 and a molecular weight of 586.61 g/mol. Its IUPAC name is (2R)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-[(2-methyl-3-pyridinyl)sulfonyl]piperidine-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(2R)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-[(2-methyl-3-pyridinyl)sulfonyl]piperidine-2-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID54765452
Molecular FormulaC24H25F3N4O6S2
Molecular Weight586.61 g/mol
Exact Mass586.12
IUPAC Name(2R)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-[(2-methyl-3-pyridinyl)sulfonyl]piperidine-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCOc1ccc(-c2csc(NC(=O)[C@H]3CCCCN3S(=O)(=O)c3cccnc3C)n2)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C22H24N4O4S2.C2HF3O2/c1-15-20(7-5-12-23-15)32(28,29)26-13-4-3-6-19(26)21(27)25-22-24-18(14-31-22)16-8-10-17(30-2)11-9-16;3-2(4,5)1(6)7/h5,7-12,14,19H,3-4,6,13H2,1-2H3,(H,24,25,27);(H,6,7)/t19-;/m1./s1
InChIKeyYRFYVLAFYNLGGL-FSRHSHDFSA-N
XLogP4.34
TPSA138.79 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500586.61
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

(2R)-1-(2-methoxyphenyl)sulfonyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 53347923
(2R)-1-(5-chloro-2-fluorophenyl)sulfonyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 53347891
(2R)-1-isoquinolin-1-ylsulfonyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide
CID 53347898
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 17435413
(2R)-1-[4-(aminomethyl)phenyl]sulfonyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide
CID 166554689
(2R)-1-(4-cyanophenyl)sulfonyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide
CID 53488280
(2R)-1-(benzenesulfonyl)-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-2-carboxamide
CID 2318282
1-(benzenesulfonyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)piperidine-2-carboxamide
CID 55339409
1-(5-chlorothiophen-2-yl)sulfonyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide
CID 16826619
1-(4-methoxyphenyl)sulfonyl-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 16831850
methyl 4-[2-[[1-(5-chlorothiophen-2-yl)sulfonylpiperidine-2-carbonyl]amino]-1,3-thiazol-4-yl]benzoate
CID 16826657
trans-(1S,2S)-2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 1226249

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-[(2-methyl-3-pyridinyl)sulfonyl]piperidine-2-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of (2R)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-[(2-methyl-3-pyridinyl)sulfonyl]piperidine-2-carboxamide;2,2,2-trifluoroacetic acid (CID 54765452) is (2R)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-[(2-methyl-3-pyridinyl)sulfonyl]piperidine-2-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (2R)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-[(2-methyl-3-pyridinyl)sulfonyl]piperidine-2-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for (2R)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-[(2-methyl-3-pyridinyl)sulfonyl]piperidine-2-carboxamide;2,2,2-trifluoroacetic acid is COc1ccc(-c2csc(NC(=O)[C@H]3CCCCN3S(=O)(=O)c3cccnc3C)n2)cc1.O=C(O)C(F)(F)F.
What is the InChIKey of (2R)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-[(2-methyl-3-pyridinyl)sulfonyl]piperidine-2-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is YRFYVLAFYNLGGL-FSRHSHDFSA-N. The full InChI is InChI=1S/C22H24N4O4S2.C2HF3O2/c1-15-20(7-5-12-23-15)32(28,29)26-13-4-3-6-19(26)21(27)25-22-24-18(14-31-22)16-8-10-17(30-2)11-9-16;3-2(4,5)1(6)7/h5,7-12,14,19H,3-4,6,13H2,1-2H3,(H,24,25,27);(H,6,7)/t19-;/m1./s1.
What are the key properties of (2R)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-[(2-methyl-3-pyridinyl)sulfonyl]piperidine-2-carboxamide;2,2,2-trifluoroacetic acid?
(2R)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-[(2-methyl-3-pyridinyl)sulfonyl]piperidine-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 586.61 g/mol, XLogP of 4.34, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-[(2-methyl-3-pyridinyl)sulfonyl]piperidine-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 54765452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).