6-(1,3-thiazol-2-ylamino)-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one

C9H7F3N4OS2 — CID 2962357

IUPAC6-(1,3-thiazol-2-ylamino)-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one
SMILESO=C1N2CCSC2=NC1(Nc1nccs1)C(F)(F)F
InChIInChI=1S/C9H7F3N4OS2/c10-9(11,12)8(14-6-13-1-3-18-6)5(17)16-2-4-19-7(16)15-8/h1,3H,2,4H2,(H,13,14)
InChIKeyHQVDQPUQHSZDGV-UHFFFAOYSA-N
MW308.31 g/mol
LogP1.76
Rot. Bonds2

About 6-(1,3-thiazol-2-ylamino)-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one

6-(1,3-thiazol-2-ylamino)-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one (PubChem CID 2962357) has the molecular formula C9H7F3N4OS2 and a molecular weight of 308.31 g/mol. Its IUPAC name is 6-(1,3-thiazol-2-ylamino)-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one.

Molecular Properties

Compound Name6-(1,3-thiazol-2-ylamino)-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one
PubChem CID2962357
Molecular FormulaC9H7F3N4OS2
Molecular Weight308.31 g/mol
Exact Mass308.00
IUPAC Name6-(1,3-thiazol-2-ylamino)-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one
SMILESO=C1N2CCSC2=NC1(Nc1nccs1)C(F)(F)F
InChIInChI=1S/C9H7F3N4OS2/c10-9(11,12)8(14-6-13-1-3-18-6)5(17)16-2-4-19-7(16)15-8/h1,3H,2,4H2,(H,13,14)
InChIKeyHQVDQPUQHSZDGV-UHFFFAOYSA-N
XLogP1.76
TPSA57.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N1-(3-(2-oxopyrrolidin-1-yl)propyl)-N2-(thiazol-2-yl)oxalamide
CID 18588848
2-(2,4-dioxo(1,3-thiazolidin-3-yl))-N-(1,3-thiazol-2-yl)acetamide
CID 4737173
(2S)-2-pyrrolidin-1-yl-N-(1,3-thiazol-2-yl)propanamide
CID 41521613
2-{4-[2,4-dioxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]piperidin-1-yl}-N-(1,3-thiazol-2-yl)acetamide
CID 126852980
(2S)-4,4-difluoro-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 89826258
2-(2-oxopyrrolidin-1-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 47111186
(6S)-6-(1,3-thiazol-2-ylamino)-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one
CID 2057161
6-[(1,3-thiazol-2-yl)amino]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5(6H)-one
CID 2057162
2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 29440154
1-[4-(1,3-Thiazol-2-yl)piperazin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone
CID 78924282
2-Amino-3,3,3-trifluoro-2-methyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one
CID 79797133
N-(1,3-thiazol-2-yl)-2-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]acetamide
CID 86868061

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-thiazol-2-ylamino)-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one?
The IUPAC name of 6-(1,3-thiazol-2-ylamino)-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one (CID 2962357) is 6-(1,3-thiazol-2-ylamino)-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one.
What is the SMILES notation for 6-(1,3-thiazol-2-ylamino)-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one?
The canonical SMILES for 6-(1,3-thiazol-2-ylamino)-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one is O=C1N2CCSC2=NC1(Nc1nccs1)C(F)(F)F.
What is the InChIKey of 6-(1,3-thiazol-2-ylamino)-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one?
The InChIKey is HQVDQPUQHSZDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N4OS2/c10-9(11,12)8(14-6-13-1-3-18-6)5(17)16-2-4-19-7(16)15-8/h1,3H,2,4H2,(H,13,14).
What are the key properties of 6-(1,3-thiazol-2-ylamino)-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one?
6-(1,3-thiazol-2-ylamino)-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one has a molecular weight of 308.31 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-thiazol-2-ylamino)-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one is sourced from PubChem (CID 2962357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).