7a-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide

C19H22F3N3O3S — CID 24687245

IUPAC7a-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCC12CCC(=O)N1C(C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)CS2
InChIInChI=1S/C19H22F3N3O3S/c1-18-5-4-16(26)25(18)15(11-29-18)17(27)23-13-10-12(19(20,21)22)2-3-14(13)24-6-8-28-9-7-24/h2-3,10,15H,4-9,11H2,1H3,(H,23,27)
InChIKeyBQPONQOFTKTVRG-UHFFFAOYSA-N
MW429.46 g/mol
LogP2.93
Rot. Bonds3

About 7a-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide

7a-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 24687245) has the molecular formula C19H22F3N3O3S and a molecular weight of 429.46 g/mol. Its IUPAC name is 7a-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound Name7a-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
PubChem CID24687245
Molecular FormulaC19H22F3N3O3S
Molecular Weight429.46 g/mol
Exact Mass429.13
IUPAC Name7a-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCC12CCC(=O)N1C(C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)CS2
InChIInChI=1S/C19H22F3N3O3S/c1-18-5-4-16(26)25(18)15(11-29-18)17(27)23-13-10-12(19(20,21)22)2-3-14(13)24-6-8-28-9-7-24/h2-3,10,15H,4-9,11H2,1H3,(H,23,27)
InChIKeyBQPONQOFTKTVRG-UHFFFAOYSA-N
XLogP2.93
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.46
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methylphenyl)-2-[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl]sulfanylacetamide
CID 24687588
7a-methyl-5-oxo-N-(2-piperidin-1-ylphenyl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 25162259
7a-methyl-N-(2-morpholin-4-ylphenyl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 24686926
2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide
CID 2999436
7a-methyl-5-oxo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 24687921
7a-Methyl-3-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazol-5-one
CID 24819791
N-(4-methylphenyl)-2-[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl]sulfanylacetamide
CID 24979562
N-ethyl-7a-methyl-5-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 24980065
[2-Oxo-2-[4-(trifluoromethyl)anilino]ethyl] 7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylate
CID 4853567
2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-4-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]pentanamide
CID 5040922
ethyl (2Z)-2-[3-[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
CID 6041156
(2S)-2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide
CID 16245469

Frequently Asked Questions

What is the IUPAC name of 7a-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
The IUPAC name of 7a-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide (CID 24687245) is 7a-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide.
What is the SMILES notation for 7a-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
The canonical SMILES for 7a-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide is CC12CCC(=O)N1C(C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)CS2.
What is the InChIKey of 7a-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is BQPONQOFTKTVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3O3S/c1-18-5-4-16(26)25(18)15(11-29-18)17(27)23-13-10-12(19(20,21)22)2-3-14(13)24-6-8-28-9-7-24/h2-3,10,15H,4-9,11H2,1H3,(H,23,27).
What are the key properties of 7a-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
7a-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 429.46 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7a-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 24687245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).