[3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone

C16H17F3N4OS — CID 154883988

IUPAC[3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESCN(c1ncccc1C(F)(F)F)C1CCCN(C(=O)c2cscn2)C1
InChIInChI=1S/C16H17F3N4OS/c1-22(14-12(16(17,18)19)5-2-6-20-14)11-4-3-7-23(8-11)15(24)13-9-25-10-21-13/h2,5-6,9-11H,3-4,7-8H2,1H3
InChIKeyIUQCBEFWNMMMQJ-UHFFFAOYSA-N
MW370.40 g/mol
LogP3.30
Rot. Bonds3

About [3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone

[3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 154883988) has the molecular formula C16H17F3N4OS and a molecular weight of 370.40 g/mol. Its IUPAC name is [3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
PubChem CID154883988
Molecular FormulaC16H17F3N4OS
Molecular Weight370.40 g/mol
Exact Mass370.11
IUPAC Name[3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESCN(c1ncccc1C(F)(F)F)C1CCCN(C(=O)c2cscn2)C1
InChIInChI=1S/C16H17F3N4OS/c1-22(14-12(16(17,18)19)5-2-6-20-14)11-4-3-7-23(8-11)15(24)13-9-25-10-21-13/h2,5-6,9-11H,3-4,7-8H2,1H3
InChIKeyIUQCBEFWNMMMQJ-UHFFFAOYSA-N
XLogP3.30
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone with MolForge

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Related Compounds

1-methyl-3-[3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]piperidine-1-carbonyl]pyridin-2-one
CID 154883990
3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]-N-phenylpiperidine-1-carboxamide
CID 154884095
2-[2-[3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 154831210
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]propan-1-one
CID 154831265
1,3-thiazol-4-yl-[(3R)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
CID 95532388
[4-(dimethylamino)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 63037207
1-(1,3-thiazole-4-carbonyl)piperidine-3-carboxylic acid
CID 63023722
[(3R)-3-(quinolin-5-ylmethyl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 124967130
[(3S)-3-methylpyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 143704110
(3-pyrrolidin-1-ylpiperidin-1-yl)-(1,3-thiazol-4-yl)methanone
CID 63049254
(3R)-N-methyl-1-(1,3-thiazole-4-carbonyl)piperidine-3-carboxamide
CID 95828809
1,3-thiazol-4-yl-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]methanone
CID 45249267

Frequently Asked Questions

What is the IUPAC name of [3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The IUPAC name of [3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone (CID 154883988) is [3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for [3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone is CN(c1ncccc1C(F)(F)F)C1CCCN(C(=O)c2cscn2)C1.
What is the InChIKey of [3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The InChIKey is IUQCBEFWNMMMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4OS/c1-22(14-12(16(17,18)19)5-2-6-20-14)11-4-3-7-23(8-11)15(24)13-9-25-10-21-13/h2,5-6,9-11H,3-4,7-8H2,1H3.
What are the key properties of [3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone?
[3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 370.40 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 154883988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).