3-[amino-[(3S)-3-(trifluoromethyl)oxaziridin-2-yl]methyl]-N-[[(3S)-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-3-yl]methyl]-1,2-dihydropyridine-6-carboxamide

C19H23F3N6O4S — CID 130180515

IUPAC3-[amino-[(3S)-3-(trifluoromethyl)oxaziridin-2-yl]methyl]-N-[[(3S)-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-3-yl]methyl]-1,2-dihydropyridine-6-carboxamide
SMILESCc1ncsc1C(=O)N1CCOC[C@@H]1CNC(=O)C1=CC=C(C(N)N2O[C@H]2C(F)(F)F)CN1
InChIInChI=1S/C19H23F3N6O4S/c1-10-14(33-9-26-10)17(30)27-4-5-31-8-12(27)7-25-16(29)13-3-2-11(6-24-13)15(23)28-18(32-28)19(20,21)22/h2-3,9,12,15,18,24H,4-8,23H2,1H3,(H,25,29)/t12-,15?,18-,28?/m0/s1
InChIKeyUOIYJIRQJUKIAN-CSTIDMGCSA-N
MW488.49 g/mol
LogP0.24
Rot. Bonds6

About 3-[amino-[(3S)-3-(trifluoromethyl)oxaziridin-2-yl]methyl]-N-[[(3S)-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-3-yl]methyl]-1,2-dihydropyridine-6-carboxamide

3-[amino-[(3S)-3-(trifluoromethyl)oxaziridin-2-yl]methyl]-N-[[(3S)-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-3-yl]methyl]-1,2-dihydropyridine-6-carboxamide (PubChem CID 130180515) has the molecular formula C19H23F3N6O4S and a molecular weight of 488.49 g/mol. Its IUPAC name is 3-[amino-[(3S)-3-(trifluoromethyl)oxaziridin-2-yl]methyl]-N-[[(3S)-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-3-yl]methyl]-1,2-dihydropyridine-6-carboxamide.

Molecular Properties

Compound Name3-[amino-[(3S)-3-(trifluoromethyl)oxaziridin-2-yl]methyl]-N-[[(3S)-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-3-yl]methyl]-1,2-dihydropyridine-6-carboxamide
PubChem CID130180515
Molecular FormulaC19H23F3N6O4S
Molecular Weight488.49 g/mol
Exact Mass488.15
IUPAC Name3-[amino-[(3S)-3-(trifluoromethyl)oxaziridin-2-yl]methyl]-N-[[(3S)-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-3-yl]methyl]-1,2-dihydropyridine-6-carboxamide
SMILESCc1ncsc1C(=O)N1CCOC[C@@H]1CNC(=O)C1=CC=C(C(N)N2O[C@H]2C(F)(F)F)CN1
InChIInChI=1S/C19H23F3N6O4S/c1-10-14(33-9-26-10)17(30)27-4-5-31-8-12(27)7-25-16(29)13-3-2-11(6-24-13)15(23)28-18(32-28)19(20,21)22/h2-3,9,12,15,18,24H,4-8,23H2,1H3,(H,25,29)/t12-,15?,18-,28?/m0/s1
InChIKeyUOIYJIRQJUKIAN-CSTIDMGCSA-N
XLogP0.24
TPSA125.12 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.49
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 3-[amino-[(3S)-3-(trifluoromethyl)oxaziridin-2-yl]methyl]-N-[[(3S)-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-3-yl]methyl]-1,2-dihydropyridine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-(3-methylthiophene-2-carbonyl)morpholin-3-yl]methyl]-5-[[(2,2,2-trifluoro-1-hydroxyethyl)amino]methyl]thiophene-2-carboxamide
CID 130180532
N-[[4-(4-methylthiadiazole-5-carbonyl)morpholin-3-yl]methyl]-5-[N-(2,2,2-trifluoroacetyl)carbamimidoyl]thiophene-2-carboxamide
CID 171924554
[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 124968176
N-[[4-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]morpholin-3-yl]methyl]quinoline-8-carboxamide
CID 10278092
N-[[4-(4-fluorobenzoyl)morpholin-3-yl]methyl]-4-(N'-methylcarbamimidoyl)benzamide
CID 130180214
4-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide
CID 120813533
(4-methyl-1,3-thiazol-5-yl)-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95327696
N-[[4-(1-methylimidazole-4-carbonyl)morpholin-3-yl]methyl]-5-[N-(2,2,2-trifluoroacetyl)carbamimidoyl]thiophene-2-carboxamide
CID 163519702
N-(cyclopropylmethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 126987991
[3-(methylaminomethyl)morpholin-4-yl]-pyridin-4-ylmethanone
CID 115270933
4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-N-[[(3S)-4-(1,3,5-trimethylpyrazole-4-carbonyl)morpholin-3-yl]methyl]benzamide
CID 129307734
5-[amino-[(2,2,2-trifluoro-1-hydroxyethyl)amino]methyl]-N-[[4-(2-methyl-2-phenylpropanoyl)morpholin-3-yl]methyl]thiophene-2-carboxamide
CID 130180666

Frequently Asked Questions

What is the IUPAC name of 3-[amino-[(3S)-3-(trifluoromethyl)oxaziridin-2-yl]methyl]-N-[[(3S)-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-3-yl]methyl]-1,2-dihydropyridine-6-carboxamide?
The IUPAC name of 3-[amino-[(3S)-3-(trifluoromethyl)oxaziridin-2-yl]methyl]-N-[[(3S)-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-3-yl]methyl]-1,2-dihydropyridine-6-carboxamide (CID 130180515) is 3-[amino-[(3S)-3-(trifluoromethyl)oxaziridin-2-yl]methyl]-N-[[(3S)-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-3-yl]methyl]-1,2-dihydropyridine-6-carboxamide.
What is the SMILES notation for 3-[amino-[(3S)-3-(trifluoromethyl)oxaziridin-2-yl]methyl]-N-[[(3S)-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-3-yl]methyl]-1,2-dihydropyridine-6-carboxamide?
The canonical SMILES for 3-[amino-[(3S)-3-(trifluoromethyl)oxaziridin-2-yl]methyl]-N-[[(3S)-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-3-yl]methyl]-1,2-dihydropyridine-6-carboxamide is Cc1ncsc1C(=O)N1CCOC[C@@H]1CNC(=O)C1=CC=C(C(N)N2O[C@H]2C(F)(F)F)CN1.
What is the InChIKey of 3-[amino-[(3S)-3-(trifluoromethyl)oxaziridin-2-yl]methyl]-N-[[(3S)-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-3-yl]methyl]-1,2-dihydropyridine-6-carboxamide?
The InChIKey is UOIYJIRQJUKIAN-CSTIDMGCSA-N. The full InChI is InChI=1S/C19H23F3N6O4S/c1-10-14(33-9-26-10)17(30)27-4-5-31-8-12(27)7-25-16(29)13-3-2-11(6-24-13)15(23)28-18(32-28)19(20,21)22/h2-3,9,12,15,18,24H,4-8,23H2,1H3,(H,25,29)/t12-,15?,18-,28?/m0/s1.
What are the key properties of 3-[amino-[(3S)-3-(trifluoromethyl)oxaziridin-2-yl]methyl]-N-[[(3S)-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-3-yl]methyl]-1,2-dihydropyridine-6-carboxamide?
3-[amino-[(3S)-3-(trifluoromethyl)oxaziridin-2-yl]methyl]-N-[[(3S)-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-3-yl]methyl]-1,2-dihydropyridine-6-carboxamide has a molecular weight of 488.49 g/mol, XLogP of 0.24, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino-[(3S)-3-(trifluoromethyl)oxaziridin-2-yl]methyl]-N-[[(3S)-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-3-yl]methyl]-1,2-dihydropyridine-6-carboxamide is sourced from PubChem (CID 130180515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).