4-tert-butyl-N-[(6R)-5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]benzamide

C17H18F3N3O2S — CID 2059971

IUPAC4-tert-butyl-N-[(6R)-5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)N[C@@]2(C(F)(F)F)N=C3SCCN3C2=O)cc1
InChIInChI=1S/C17H18F3N3O2S/c1-15(2,3)11-6-4-10(5-7-11)12(24)21-16(17(18,19)20)13(25)23-8-9-26-14(23)22-16/h4-7H,8-9H2,1-3H3,(H,21,24)/t16-/m1/s1
InChIKeyKZKDHXYXZCAQBI-MRXNPFEDSA-N
MW385.41 g/mol
LogP2.92
Rot. Bonds2

About 4-tert-butyl-N-[(6R)-5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]benzamide

4-tert-butyl-N-[(6R)-5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]benzamide (PubChem CID 2059971) has the molecular formula C17H18F3N3O2S and a molecular weight of 385.41 g/mol. Its IUPAC name is 4-tert-butyl-N-[(6R)-5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[(6R)-5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]benzamide
PubChem CID2059971
Molecular FormulaC17H18F3N3O2S
Molecular Weight385.41 g/mol
Exact Mass385.11
IUPAC Name4-tert-butyl-N-[(6R)-5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)N[C@@]2(C(F)(F)F)N=C3SCCN3C2=O)cc1
InChIInChI=1S/C17H18F3N3O2S/c1-15(2,3)11-6-4-10(5-7-11)12(24)21-16(17(18,19)20)13(25)23-8-9-26-14(23)22-16/h4-7H,8-9H2,1-3H3,(H,21,24)/t16-/m1/s1
InChIKeyKZKDHXYXZCAQBI-MRXNPFEDSA-N
XLogP2.92
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.41
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[(6R)-5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]benzamide?
The IUPAC name of 4-tert-butyl-N-[(6R)-5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]benzamide (CID 2059971) is 4-tert-butyl-N-[(6R)-5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[(6R)-5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[(6R)-5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]benzamide is CC(C)(C)c1ccc(C(=O)N[C@@]2(C(F)(F)F)N=C3SCCN3C2=O)cc1.
What is the InChIKey of 4-tert-butyl-N-[(6R)-5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]benzamide?
The InChIKey is KZKDHXYXZCAQBI-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H18F3N3O2S/c1-15(2,3)11-6-4-10(5-7-11)12(24)21-16(17(18,19)20)13(25)23-8-9-26-14(23)22-16/h4-7H,8-9H2,1-3H3,(H,21,24)/t16-/m1/s1.
What are the key properties of 4-tert-butyl-N-[(6R)-5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]benzamide?
4-tert-butyl-N-[(6R)-5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]benzamide has a molecular weight of 385.41 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[(6R)-5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]benzamide is sourced from PubChem (CID 2059971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).