4-[2-[(2-methyl-1,3-thiazol-4-yl)amino]-4-pyridinyl]-6-[3-(trifluoromethyl)morpholin-4-yl]piperidin-2-one

C19H22F3N5O2S — CID 163200985

IUPAC4-[2-[(2-methyl-1,3-thiazol-4-yl)amino]-4-pyridinyl]-6-[3-(trifluoromethyl)morpholin-4-yl]piperidin-2-one
SMILESCc1nc(Nc2cc(C3CC(=O)NC(N4CCOCC4C(F)(F)F)C3)ccn2)cs1
InChIInChI=1S/C19H22F3N5O2S/c1-11-24-16(10-30-11)25-15-6-12(2-3-23-15)13-7-17(26-18(28)8-13)27-4-5-29-9-14(27)19(20,21)22/h2-3,6,10,13-14,17H,4-5,7-9H2,1H3,(H,23,25)(H,26,28)
InChIKeyMPSNUWFWYWSOCO-UHFFFAOYSA-N
MW441.48 g/mol
LogP3.17
Rot. Bonds4

About 4-[2-[(2-methyl-1,3-thiazol-4-yl)amino]-4-pyridinyl]-6-[3-(trifluoromethyl)morpholin-4-yl]piperidin-2-one

4-[2-[(2-methyl-1,3-thiazol-4-yl)amino]-4-pyridinyl]-6-[3-(trifluoromethyl)morpholin-4-yl]piperidin-2-one (PubChem CID 163200985) has the molecular formula C19H22F3N5O2S and a molecular weight of 441.48 g/mol. Its IUPAC name is 4-[2-[(2-methyl-1,3-thiazol-4-yl)amino]-4-pyridinyl]-6-[3-(trifluoromethyl)morpholin-4-yl]piperidin-2-one.

Molecular Properties

Compound Name4-[2-[(2-methyl-1,3-thiazol-4-yl)amino]-4-pyridinyl]-6-[3-(trifluoromethyl)morpholin-4-yl]piperidin-2-one
PubChem CID163200985
Molecular FormulaC19H22F3N5O2S
Molecular Weight441.48 g/mol
Exact Mass441.14
IUPAC Name4-[2-[(2-methyl-1,3-thiazol-4-yl)amino]-4-pyridinyl]-6-[3-(trifluoromethyl)morpholin-4-yl]piperidin-2-one
SMILESCc1nc(Nc2cc(C3CC(=O)NC(N4CCOCC4C(F)(F)F)C3)ccn2)cs1
InChIInChI=1S/C19H22F3N5O2S/c1-11-24-16(10-30-11)25-15-6-12(2-3-23-15)13-7-17(26-18(28)8-13)27-4-5-29-9-14(27)19(20,21)22/h2-3,6,10,13-14,17H,4-5,7-9H2,1H3,(H,23,25)(H,26,28)
InChIKeyMPSNUWFWYWSOCO-UHFFFAOYSA-N
XLogP3.17
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.48
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[2-[(2-methyl-1,3-thiazol-4-yl)amino]-4-pyridinyl]-6-[3-(trifluoromethyl)morpholin-4-yl]piperidin-2-one with MolForge

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Related Compounds

5-{2-[(4-morpholin-4-ylpyridin-2-yl)amino]-1,3-thiazol-5-yl}-N-(2,2,2-trifluoroethyl)nicotinamide
CID 15980107
US10975068, Example 395
CID 132056761
US10975068, Example 392
CID 132057620
US11208423, Example 52
CID 163200988
US11219618, Example 26
CID 166595776
US11219618, Example 45
CID 166595798
US11219618, Example 42
CID 166596005
2-methoxy-N-(1-(4-(pyridin-3-yl)thiazol-2-yl)piperidin-4-yl)acetamide
CID 76151663
US12110299, Example 74
CID 150174905
US20260028365, Example 234
CID 176889349
2-(2-methyl-1,3-thiazol-4-yl)-N-{[2-(4-morpholinyl)-3-pyridinyl]methyl}acetamide
CID 26318157
(7R)-2-morpholin-4-yl-7-pyridin-3-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 51719385

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2-methyl-1,3-thiazol-4-yl)amino]-4-pyridinyl]-6-[3-(trifluoromethyl)morpholin-4-yl]piperidin-2-one?
The IUPAC name of 4-[2-[(2-methyl-1,3-thiazol-4-yl)amino]-4-pyridinyl]-6-[3-(trifluoromethyl)morpholin-4-yl]piperidin-2-one (CID 163200985) is 4-[2-[(2-methyl-1,3-thiazol-4-yl)amino]-4-pyridinyl]-6-[3-(trifluoromethyl)morpholin-4-yl]piperidin-2-one.
What is the SMILES notation for 4-[2-[(2-methyl-1,3-thiazol-4-yl)amino]-4-pyridinyl]-6-[3-(trifluoromethyl)morpholin-4-yl]piperidin-2-one?
The canonical SMILES for 4-[2-[(2-methyl-1,3-thiazol-4-yl)amino]-4-pyridinyl]-6-[3-(trifluoromethyl)morpholin-4-yl]piperidin-2-one is Cc1nc(Nc2cc(C3CC(=O)NC(N4CCOCC4C(F)(F)F)C3)ccn2)cs1.
What is the InChIKey of 4-[2-[(2-methyl-1,3-thiazol-4-yl)amino]-4-pyridinyl]-6-[3-(trifluoromethyl)morpholin-4-yl]piperidin-2-one?
The InChIKey is MPSNUWFWYWSOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N5O2S/c1-11-24-16(10-30-11)25-15-6-12(2-3-23-15)13-7-17(26-18(28)8-13)27-4-5-29-9-14(27)19(20,21)22/h2-3,6,10,13-14,17H,4-5,7-9H2,1H3,(H,23,25)(H,26,28).
What are the key properties of 4-[2-[(2-methyl-1,3-thiazol-4-yl)amino]-4-pyridinyl]-6-[3-(trifluoromethyl)morpholin-4-yl]piperidin-2-one?
4-[2-[(2-methyl-1,3-thiazol-4-yl)amino]-4-pyridinyl]-6-[3-(trifluoromethyl)morpholin-4-yl]piperidin-2-one has a molecular weight of 441.48 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2-methyl-1,3-thiazol-4-yl)amino]-4-pyridinyl]-6-[3-(trifluoromethyl)morpholin-4-yl]piperidin-2-one is sourced from PubChem (CID 163200985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).