2-[(7aR)-5,7-dioxo-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-6-yl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide

C13H18F3N3O3S — CID 124735148

IUPAC2-[(7aR)-5,7-dioxo-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-6-yl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)CN(CC(F)(F)F)C(=O)CN1C(=O)[C@@H]2CSCN2C1=O
InChIInChI=1S/C13H18F3N3O3S/c1-8(2)3-17(6-13(14,15)16)10(20)4-18-11(21)9-5-23-7-19(9)12(18)22/h8-9H,3-7H2,1-2H3/t9-/m0/s1
InChIKeyNDQMDVSPKFNJEL-VIFPVBQESA-N
MW353.37 g/mol
LogP1.37
Rot. Bonds5

About 2-[(7aR)-5,7-dioxo-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-6-yl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide

2-[(7aR)-5,7-dioxo-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-6-yl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 124735148) has the molecular formula C13H18F3N3O3S and a molecular weight of 353.37 g/mol. Its IUPAC name is 2-[(7aR)-5,7-dioxo-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-6-yl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(7aR)-5,7-dioxo-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-6-yl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID124735148
Molecular FormulaC13H18F3N3O3S
Molecular Weight353.37 g/mol
Exact Mass353.10
IUPAC Name2-[(7aR)-5,7-dioxo-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-6-yl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)CN(CC(F)(F)F)C(=O)CN1C(=O)[C@@H]2CSCN2C1=O
InChIInChI=1S/C13H18F3N3O3S/c1-8(2)3-17(6-13(14,15)16)10(20)4-18-11(21)9-5-23-7-19(9)12(18)22/h8-9H,3-7H2,1-2H3/t9-/m0/s1
InChIKeyNDQMDVSPKFNJEL-VIFPVBQESA-N
XLogP1.37
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[(7aR)-5,7-dioxo-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-6-yl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[(7aR)-5,7-dioxo-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-6-yl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide (CID 124735148) is 2-[(7aR)-5,7-dioxo-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-6-yl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[(7aR)-5,7-dioxo-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-6-yl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[(7aR)-5,7-dioxo-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-6-yl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide is CC(C)CN(CC(F)(F)F)C(=O)CN1C(=O)[C@@H]2CSCN2C1=O.
What is the InChIKey of 2-[(7aR)-5,7-dioxo-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-6-yl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is NDQMDVSPKFNJEL-VIFPVBQESA-N. The full InChI is InChI=1S/C13H18F3N3O3S/c1-8(2)3-17(6-13(14,15)16)10(20)4-18-11(21)9-5-23-7-19(9)12(18)22/h8-9H,3-7H2,1-2H3/t9-/m0/s1.
What are the key properties of 2-[(7aR)-5,7-dioxo-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-6-yl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide?
2-[(7aR)-5,7-dioxo-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-6-yl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 353.37 g/mol, XLogP of 1.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7aR)-5,7-dioxo-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-6-yl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 124735148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).