2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[5-phenyl-7-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]acetamide

C22H18F3N5O3S — CID 41084237

IUPAC2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[5-phenyl-7-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]acetamide
SMILESC[C@@]1(C2CC2)NC(=O)N(CC(=O)Nc2nc3nc(-c4ccccc4)cc(C(F)(F)F)c3s2)C1=O
InChIInChI=1S/C22H18F3N5O3S/c1-21(12-7-8-12)18(32)30(20(33)29-21)10-15(31)27-19-28-17-16(34-19)13(22(23,24)25)9-14(26-17)11-5-3-2-4-6-11/h2-6,9,12H,7-8,10H2,1H3,(H,29,33)(H,26,27,28,31)/t21-/m0/s1
InChIKeySCOQJKQAVCMFQI-NRFANRHFSA-N
MW489.48 g/mol
LogP4.04
Rot. Bonds5

About 2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[5-phenyl-7-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]acetamide

2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[5-phenyl-7-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]acetamide (PubChem CID 41084237) has the molecular formula C22H18F3N5O3S and a molecular weight of 489.48 g/mol. Its IUPAC name is 2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[5-phenyl-7-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]acetamide.

Molecular Properties

Compound Name2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[5-phenyl-7-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]acetamide
PubChem CID41084237
Molecular FormulaC22H18F3N5O3S
Molecular Weight489.48 g/mol
Exact Mass489.11
IUPAC Name2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[5-phenyl-7-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]acetamide
SMILESC[C@@]1(C2CC2)NC(=O)N(CC(=O)Nc2nc3nc(-c4ccccc4)cc(C(F)(F)F)c3s2)C1=O
InChIInChI=1S/C22H18F3N5O3S/c1-21(12-7-8-12)18(32)30(20(33)29-21)10-15(31)27-19-28-17-16(34-19)13(22(23,24)25)9-14(26-17)11-5-3-2-4-6-11/h2-6,9,12H,7-8,10H2,1H3,(H,29,33)(H,26,27,28,31)/t21-/m0/s1
InChIKeySCOQJKQAVCMFQI-NRFANRHFSA-N
XLogP4.04
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.48
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[5-phenyl-7-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]acetamide?
The IUPAC name of 2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[5-phenyl-7-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]acetamide (CID 41084237) is 2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[5-phenyl-7-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]acetamide.
What is the SMILES notation for 2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[5-phenyl-7-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]acetamide?
The canonical SMILES for 2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[5-phenyl-7-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]acetamide is C[C@@]1(C2CC2)NC(=O)N(CC(=O)Nc2nc3nc(-c4ccccc4)cc(C(F)(F)F)c3s2)C1=O.
What is the InChIKey of 2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[5-phenyl-7-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]acetamide?
The InChIKey is SCOQJKQAVCMFQI-NRFANRHFSA-N. The full InChI is InChI=1S/C22H18F3N5O3S/c1-21(12-7-8-12)18(32)30(20(33)29-21)10-15(31)27-19-28-17-16(34-19)13(22(23,24)25)9-14(26-17)11-5-3-2-4-6-11/h2-6,9,12H,7-8,10H2,1H3,(H,29,33)(H,26,27,28,31)/t21-/m0/s1.
What are the key properties of 2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[5-phenyl-7-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]acetamide?
2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[5-phenyl-7-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]acetamide has a molecular weight of 489.48 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[5-phenyl-7-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]acetamide is sourced from PubChem (CID 41084237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).