N-[(2S,6R)-2-(bromomethyl)-5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]-4-methylbenzamide

C15H13BrF3N3O2S — CID 28886218

IUPACN-[(2S,6R)-2-(bromomethyl)-5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)N[C@@]2(C(F)(F)F)N=C3S[C@H](CBr)CN3C2=O)cc1
InChIInChI=1S/C15H13BrF3N3O2S/c1-8-2-4-9(5-3-8)11(23)20-14(15(17,18)19)12(24)22-7-10(6-16)25-13(22)21-14/h2-5,10H,6-7H2,1H3,(H,20,23)/t10-,14-/m1/s1
InChIKeyZNMZGRTXORWWKU-QMTHXVAHSA-N
MW436.25 g/mol
LogP2.69
Rot. Bonds3

About N-[(2S,6R)-2-(bromomethyl)-5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]-4-methylbenzamide

N-[(2S,6R)-2-(bromomethyl)-5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]-4-methylbenzamide (PubChem CID 28886218) has the molecular formula C15H13BrF3N3O2S and a molecular weight of 436.25 g/mol. Its IUPAC name is N-[(2S,6R)-2-(bromomethyl)-5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[(2S,6R)-2-(bromomethyl)-5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]-4-methylbenzamide
PubChem CID28886218
Molecular FormulaC15H13BrF3N3O2S
Molecular Weight436.25 g/mol
Exact Mass434.99
IUPAC NameN-[(2S,6R)-2-(bromomethyl)-5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)N[C@@]2(C(F)(F)F)N=C3S[C@H](CBr)CN3C2=O)cc1
InChIInChI=1S/C15H13BrF3N3O2S/c1-8-2-4-9(5-3-8)11(23)20-14(15(17,18)19)12(24)22-7-10(6-16)25-13(22)21-14/h2-5,10H,6-7H2,1H3,(H,20,23)/t10-,14-/m1/s1
InChIKeyZNMZGRTXORWWKU-QMTHXVAHSA-N
XLogP2.69
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.25
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-tert-butyl-N-[(6R)-5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]benzamide
CID 2059971
N-[1-benzyl-2-methyl-5-oxo-4-(trifluoromethyl)imidazol-4-yl]-4-chlorobenzamide
CID 17344621
N-[(6R)-5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]thiophene-2-carboxamide
CID 7013534
ethane;4-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 145192130
N-[5-(dichloromethyl)-6-oxoimidazo[2,1-b][1,3]thiazol-5-yl]-4-methylbenzamide
CID 45142534
4-tert-butyl-N-[(4R)-5-oxo-2-phenyl-1-(2-phenylethyl)-4-(trifluoromethyl)imidazol-4-yl]benzamide
CID 28963503
N-[1-(furan-2-ylmethyl)-2-methyl-5-oxo-4-(trifluoromethyl)imidazol-4-yl]-4-methoxybenzamide
CID 17344757
N-[(1R,2S)-3,3-difluoro-2-hydroxycyclopentyl]-4-methylbenzamide
CID 166284406
N-[[3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-(trifluoromethyl)benzamide
CID 16920617
4-methyl-N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]benzamide
CID 118693704
4-tert-butyl-N-[(4R)-1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
CID 51506286
N-(4-bromobutan-2-yl)-4-methylbenzamide
CID 83180516

Frequently Asked Questions

What is the IUPAC name of N-[(2S,6R)-2-(bromomethyl)-5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]-4-methylbenzamide?
The IUPAC name of N-[(2S,6R)-2-(bromomethyl)-5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]-4-methylbenzamide (CID 28886218) is N-[(2S,6R)-2-(bromomethyl)-5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]-4-methylbenzamide.
What is the SMILES notation for N-[(2S,6R)-2-(bromomethyl)-5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]-4-methylbenzamide?
The canonical SMILES for N-[(2S,6R)-2-(bromomethyl)-5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]-4-methylbenzamide is Cc1ccc(C(=O)N[C@@]2(C(F)(F)F)N=C3S[C@H](CBr)CN3C2=O)cc1.
What is the InChIKey of N-[(2S,6R)-2-(bromomethyl)-5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]-4-methylbenzamide?
The InChIKey is ZNMZGRTXORWWKU-QMTHXVAHSA-N. The full InChI is InChI=1S/C15H13BrF3N3O2S/c1-8-2-4-9(5-3-8)11(23)20-14(15(17,18)19)12(24)22-7-10(6-16)25-13(22)21-14/h2-5,10H,6-7H2,1H3,(H,20,23)/t10-,14-/m1/s1.
What are the key properties of N-[(2S,6R)-2-(bromomethyl)-5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]-4-methylbenzamide?
N-[(2S,6R)-2-(bromomethyl)-5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]-4-methylbenzamide has a molecular weight of 436.25 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,6R)-2-(bromomethyl)-5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]-4-methylbenzamide is sourced from PubChem (CID 28886218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).