(5R)-3-benzyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-phenyl-5-(trifluoromethyl)imidazol-4-one

C20H16F3N5OS — CID 51971376

IUPAC(5R)-3-benzyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-phenyl-5-(trifluoromethyl)imidazol-4-one
SMILESCc1nnc(N[C@@]2(C(F)(F)F)N=C(c3ccccc3)N(Cc3ccccc3)C2=O)s1
InChIInChI=1S/C20H16F3N5OS/c1-13-26-27-18(30-13)25-19(20(21,22)23)17(29)28(12-14-8-4-2-5-9-14)16(24-19)15-10-6-3-7-11-15/h2-11H,12H2,1H3,(H,25,27)/t19-/m0/s1
InChIKeyOCIYNIPZAAQVAY-IBGZPJMESA-N
MW431.44 g/mol
LogP4.01
Rot. Bonds5

About (5R)-3-benzyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-phenyl-5-(trifluoromethyl)imidazol-4-one

(5R)-3-benzyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-phenyl-5-(trifluoromethyl)imidazol-4-one (PubChem CID 51971376) has the molecular formula C20H16F3N5OS and a molecular weight of 431.44 g/mol. Its IUPAC name is (5R)-3-benzyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-phenyl-5-(trifluoromethyl)imidazol-4-one.

Molecular Properties

Compound Name(5R)-3-benzyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-phenyl-5-(trifluoromethyl)imidazol-4-one
PubChem CID51971376
Molecular FormulaC20H16F3N5OS
Molecular Weight431.44 g/mol
Exact Mass431.10
IUPAC Name(5R)-3-benzyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-phenyl-5-(trifluoromethyl)imidazol-4-one
SMILESCc1nnc(N[C@@]2(C(F)(F)F)N=C(c3ccccc3)N(Cc3ccccc3)C2=O)s1
InChIInChI=1S/C20H16F3N5OS/c1-13-26-27-18(30-13)25-19(20(21,22)23)17(29)28(12-14-8-4-2-5-9-14)16(24-19)15-10-6-3-7-11-15/h2-11H,12H2,1H3,(H,25,27)/t19-/m0/s1
InChIKeyOCIYNIPZAAQVAY-IBGZPJMESA-N
XLogP4.01
TPSA70.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.44
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-benzyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-phenyl-5-(trifluoromethyl)imidazol-4-one?
The IUPAC name of (5R)-3-benzyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-phenyl-5-(trifluoromethyl)imidazol-4-one (CID 51971376) is (5R)-3-benzyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-phenyl-5-(trifluoromethyl)imidazol-4-one.
What is the SMILES notation for (5R)-3-benzyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-phenyl-5-(trifluoromethyl)imidazol-4-one?
The canonical SMILES for (5R)-3-benzyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-phenyl-5-(trifluoromethyl)imidazol-4-one is Cc1nnc(N[C@@]2(C(F)(F)F)N=C(c3ccccc3)N(Cc3ccccc3)C2=O)s1.
What is the InChIKey of (5R)-3-benzyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-phenyl-5-(trifluoromethyl)imidazol-4-one?
The InChIKey is OCIYNIPZAAQVAY-IBGZPJMESA-N. The full InChI is InChI=1S/C20H16F3N5OS/c1-13-26-27-18(30-13)25-19(20(21,22)23)17(29)28(12-14-8-4-2-5-9-14)16(24-19)15-10-6-3-7-11-15/h2-11H,12H2,1H3,(H,25,27)/t19-/m0/s1.
What are the key properties of (5R)-3-benzyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-phenyl-5-(trifluoromethyl)imidazol-4-one?
(5R)-3-benzyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-phenyl-5-(trifluoromethyl)imidazol-4-one has a molecular weight of 431.44 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-benzyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-phenyl-5-(trifluoromethyl)imidazol-4-one is sourced from PubChem (CID 51971376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).