(2R)-N-[(2S)-butan-2-yl]-1-[2-[3-(trifluoromethyl)anilino]-1,3-thiazole-4-carbonyl]piperidine-2-carboxamide

C21H25F3N4O2S — CID 93305258

IUPAC(2R)-N-[(2S)-butan-2-yl]-1-[2-[3-(trifluoromethyl)anilino]-1,3-thiazole-4-carbonyl]piperidine-2-carboxamide
SMILESCC[C@H](C)NC(=O)[C@H]1CCCCN1C(=O)c1csc(Nc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C21H25F3N4O2S/c1-3-13(2)25-18(29)17-9-4-5-10-28(17)19(30)16-12-31-20(27-16)26-15-8-6-7-14(11-15)21(22,23)24/h6-8,11-13,17H,3-5,9-10H2,1-2H3,(H,25,29)(H,26,27)/t13-,17+/m0/s1
InChIKeyTVTWUXULDUXRDO-SUMWQHHRSA-N
MW454.52 g/mol
LogP4.81
Rot. Bonds6

About (2R)-N-[(2S)-butan-2-yl]-1-[2-[3-(trifluoromethyl)anilino]-1,3-thiazole-4-carbonyl]piperidine-2-carboxamide

(2R)-N-[(2S)-butan-2-yl]-1-[2-[3-(trifluoromethyl)anilino]-1,3-thiazole-4-carbonyl]piperidine-2-carboxamide (PubChem CID 93305258) has the molecular formula C21H25F3N4O2S and a molecular weight of 454.52 g/mol. Its IUPAC name is (2R)-N-[(2S)-butan-2-yl]-1-[2-[3-(trifluoromethyl)anilino]-1,3-thiazole-4-carbonyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(2S)-butan-2-yl]-1-[2-[3-(trifluoromethyl)anilino]-1,3-thiazole-4-carbonyl]piperidine-2-carboxamide
PubChem CID93305258
Molecular FormulaC21H25F3N4O2S
Molecular Weight454.52 g/mol
Exact Mass454.17
IUPAC Name(2R)-N-[(2S)-butan-2-yl]-1-[2-[3-(trifluoromethyl)anilino]-1,3-thiazole-4-carbonyl]piperidine-2-carboxamide
SMILESCC[C@H](C)NC(=O)[C@H]1CCCCN1C(=O)c1csc(Nc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C21H25F3N4O2S/c1-3-13(2)25-18(29)17-9-4-5-10-28(17)19(30)16-12-31-20(27-16)26-15-8-6-7-14(11-15)21(22,23)24/h6-8,11-13,17H,3-5,9-10H2,1-2H3,(H,25,29)(H,26,27)/t13-,17+/m0/s1
InChIKeyTVTWUXULDUXRDO-SUMWQHHRSA-N
XLogP4.81
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.52
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)ethyl]-1-[2-[3-(trifluoromethyl)anilino]-1,3-thiazole-4-carbonyl]piperidine-2-carboxamide
CID 42813267
N-(2-methoxyethyl)-1-[2-[3-(trifluoromethyl)anilino]-1,3-thiazole-4-carbonyl]pyrrolidine-2-carboxamide
CID 42813279
(2S)-1-[2-(3,4-dichloroanilino)-1,3-thiazole-4-carbonyl]-N-(2-methylpropyl)piperidine-2-carboxamide
CID 93143143
(2R)-1-[2-(3-methoxyanilino)-1,3-thiazole-4-carbonyl]-N-(2-methoxyethyl)piperidine-2-carboxamide
CID 93305294
(2S)-1-[2-(3-methoxyanilino)-1,3-thiazole-4-carbonyl]-N-(2-methoxyethyl)piperidine-2-carboxamide
CID 93305293
(2-ethylpiperidin-1-yl)-[6-methyl-2-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]methanone
CID 109333892
1-pyrrolidin-1-yl-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]ethanone
CID 27377781
N-butan-2-yl-4-[3-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109203369
1-(thiophene-2-carbonyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 51150537
1-[2-(3,4-dichloroanilino)-1,3-thiazole-4-carbonyl]-N-(2-methoxyethyl)pyrrolidine-2-carboxamide
CID 90488367
1-(4-benzylpiperidin-1-yl)-2-[4-[2-[3-(trifluoromethyl)anilino]-1,3-thiazole-4-carbonyl]piperazin-1-yl]ethanone
CID 42876910
1-[2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide
CID 27377791

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2S)-butan-2-yl]-1-[2-[3-(trifluoromethyl)anilino]-1,3-thiazole-4-carbonyl]piperidine-2-carboxamide?
The IUPAC name of (2R)-N-[(2S)-butan-2-yl]-1-[2-[3-(trifluoromethyl)anilino]-1,3-thiazole-4-carbonyl]piperidine-2-carboxamide (CID 93305258) is (2R)-N-[(2S)-butan-2-yl]-1-[2-[3-(trifluoromethyl)anilino]-1,3-thiazole-4-carbonyl]piperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[(2S)-butan-2-yl]-1-[2-[3-(trifluoromethyl)anilino]-1,3-thiazole-4-carbonyl]piperidine-2-carboxamide?
The canonical SMILES for (2R)-N-[(2S)-butan-2-yl]-1-[2-[3-(trifluoromethyl)anilino]-1,3-thiazole-4-carbonyl]piperidine-2-carboxamide is CC[C@H](C)NC(=O)[C@H]1CCCCN1C(=O)c1csc(Nc2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of (2R)-N-[(2S)-butan-2-yl]-1-[2-[3-(trifluoromethyl)anilino]-1,3-thiazole-4-carbonyl]piperidine-2-carboxamide?
The InChIKey is TVTWUXULDUXRDO-SUMWQHHRSA-N. The full InChI is InChI=1S/C21H25F3N4O2S/c1-3-13(2)25-18(29)17-9-4-5-10-28(17)19(30)16-12-31-20(27-16)26-15-8-6-7-14(11-15)21(22,23)24/h6-8,11-13,17H,3-5,9-10H2,1-2H3,(H,25,29)(H,26,27)/t13-,17+/m0/s1.
What are the key properties of (2R)-N-[(2S)-butan-2-yl]-1-[2-[3-(trifluoromethyl)anilino]-1,3-thiazole-4-carbonyl]piperidine-2-carboxamide?
(2R)-N-[(2S)-butan-2-yl]-1-[2-[3-(trifluoromethyl)anilino]-1,3-thiazole-4-carbonyl]piperidine-2-carboxamide has a molecular weight of 454.52 g/mol, XLogP of 4.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2S)-butan-2-yl]-1-[2-[3-(trifluoromethyl)anilino]-1,3-thiazole-4-carbonyl]piperidine-2-carboxamide is sourced from PubChem (CID 93305258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).