N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-N-methyl-1-(3,3,3-trifluoropropanoyl)piperidine-3-carboxamide

C19H20F4N4O2S — CID 59580577

IUPACN-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-N-methyl-1-(3,3,3-trifluoropropanoyl)piperidine-3-carboxamide
SMILESCc1nc(-c2cncc(F)c2)sc1N(C)C(=O)C1CCCN(C(=O)CC(F)(F)F)C1
InChIInChI=1S/C19H20F4N4O2S/c1-11-18(30-16(25-11)13-6-14(20)9-24-8-13)26(2)17(29)12-4-3-5-27(10-12)15(28)7-19(21,22)23/h6,8-9,12H,3-5,7,10H2,1-2H3
InChIKeyOWVFBUGJQBIWAR-UHFFFAOYSA-N
MW444.45 g/mol
LogP3.81
Rot. Bonds4

About N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-N-methyl-1-(3,3,3-trifluoropropanoyl)piperidine-3-carboxamide

N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-N-methyl-1-(3,3,3-trifluoropropanoyl)piperidine-3-carboxamide (PubChem CID 59580577) has the molecular formula C19H20F4N4O2S and a molecular weight of 444.45 g/mol. Its IUPAC name is N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-N-methyl-1-(3,3,3-trifluoropropanoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-N-methyl-1-(3,3,3-trifluoropropanoyl)piperidine-3-carboxamide
PubChem CID59580577
Molecular FormulaC19H20F4N4O2S
Molecular Weight444.45 g/mol
Exact Mass444.12
IUPAC NameN-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-N-methyl-1-(3,3,3-trifluoropropanoyl)piperidine-3-carboxamide
SMILESCc1nc(-c2cncc(F)c2)sc1N(C)C(=O)C1CCCN(C(=O)CC(F)(F)F)C1
InChIInChI=1S/C19H20F4N4O2S/c1-11-18(30-16(25-11)13-6-14(20)9-24-8-13)26(2)17(29)12-4-3-5-27(10-12)15(28)7-19(21,22)23/h6,8-9,12H,3-5,7,10H2,1-2H3
InChIKeyOWVFBUGJQBIWAR-UHFFFAOYSA-N
XLogP3.81
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.45
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-N,2-dimethyl-3-sulfanylpropanamide
CID 126635494
N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2-methyl-N-prop-2-ynyl-3-(3,3,3-trifluoropropylsulfanyl)propanamide
CID 118029824
N-ethyl-N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-3-methylsulfinylpropanamide
CID 59580834
3,3,3-trifluoro-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119490768
1-[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-3,3,3-trifluoropropan-1-one
CID 90637953
(3S)-1-[4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanoyl]piperidine-3-carboxylic acid
CID 119174349
1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-3,3,3-trifluoropropan-1-one
CID 122161131
(3S)-1-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]piperidine-3-carboxamide
CID 94176937
N-[3-(1H-indol-2-yl)phenyl]-1-(3,3,3-trifluoropropanoyl)piperidine-3-carboxamide
CID 45243703
3,3,3-trifluoro-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one
CID 61206563
ethyl 3-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-1-methylpyrazole-5-carboxylate
CID 66633572
1-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]piperidine-3-carboxamide
CID 134028786

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-N-methyl-1-(3,3,3-trifluoropropanoyl)piperidine-3-carboxamide?
The IUPAC name of N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-N-methyl-1-(3,3,3-trifluoropropanoyl)piperidine-3-carboxamide (CID 59580577) is N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-N-methyl-1-(3,3,3-trifluoropropanoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-N-methyl-1-(3,3,3-trifluoropropanoyl)piperidine-3-carboxamide?
The canonical SMILES for N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-N-methyl-1-(3,3,3-trifluoropropanoyl)piperidine-3-carboxamide is Cc1nc(-c2cncc(F)c2)sc1N(C)C(=O)C1CCCN(C(=O)CC(F)(F)F)C1.
What is the InChIKey of N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-N-methyl-1-(3,3,3-trifluoropropanoyl)piperidine-3-carboxamide?
The InChIKey is OWVFBUGJQBIWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F4N4O2S/c1-11-18(30-16(25-11)13-6-14(20)9-24-8-13)26(2)17(29)12-4-3-5-27(10-12)15(28)7-19(21,22)23/h6,8-9,12H,3-5,7,10H2,1-2H3.
What are the key properties of N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-N-methyl-1-(3,3,3-trifluoropropanoyl)piperidine-3-carboxamide?
N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-N-methyl-1-(3,3,3-trifluoropropanoyl)piperidine-3-carboxamide has a molecular weight of 444.45 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-N-methyl-1-(3,3,3-trifluoropropanoyl)piperidine-3-carboxamide is sourced from PubChem (CID 59580577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).