2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide;2,2,2-trifluoroacetic acid

C13H13F3N4O3S — CID 175756570

IUPAC2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide;2,2,2-trifluoroacetic acid
SMILESO=C(Cc1ncn2c1CCC2)Nc1nccs1.O=C(O)C(F)(F)F
InChIInChI=1S/C11H12N4OS.C2HF3O2/c16-10(14-11-12-3-5-17-11)6-8-9-2-1-4-15(9)7-13-8;3-2(4,5)1(6)7/h3,5,7H,1-2,4,6H2,(H,12,14,16);(H,6,7)
InChIKeyRDLXSHIDLWCJGD-UHFFFAOYSA-N
MW362.33 g/mol
LogP2.10
Rot. Bonds3

About 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide;2,2,2-trifluoroacetic acid

2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide;2,2,2-trifluoroacetic acid (PubChem CID 175756570) has the molecular formula C13H13F3N4O3S and a molecular weight of 362.33 g/mol. Its IUPAC name is 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide;2,2,2-trifluoroacetic acid
PubChem CID175756570
Molecular FormulaC13H13F3N4O3S
Molecular Weight362.33 g/mol
Exact Mass362.07
IUPAC Name2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide;2,2,2-trifluoroacetic acid
SMILESO=C(Cc1ncn2c1CCC2)Nc1nccs1.O=C(O)C(F)(F)F
InChIInChI=1S/C11H12N4OS.C2HF3O2/c16-10(14-11-12-3-5-17-11)6-8-9-2-1-4-15(9)7-13-8;3-2(4,5)1(6)7/h3,5,7H,1-2,4,6H2,(H,12,14,16);(H,6,7)
InChIKeyRDLXSHIDLWCJGD-UHFFFAOYSA-N
XLogP2.10
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.33
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 155413928
2-(6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 155413930
2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[[(E)-3-fluoro-2-methylidenehex-3-enyl]amino]-N-(1,3-thiazol-2-yl)acetamide
CID 156516224
2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 155413269
2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-(2-methylhydrazinyl)-N-(1,3-thiazol-2-yl)acetamide
CID 156516134
2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide;dihydrochloride
CID 162718524
2-(5,5-dimethyl-6,7-dihydropyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 169087201
2-spiro[6,7-dihydropyrrolo[1,2-c]imidazole-5,1'-cyclopropane]-1-yl-N-(1,3-thiazol-2-yl)acetamide
CID 169087202
2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide;hydrochloride
CID 169093088
2-(5-ethyl-5-methyl-6,7-dihydropyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 175961070
N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 53508252
5-[(6-Methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]pyrrolidin-2-one
CID 104687071

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide;2,2,2-trifluoroacetic acid (CID 175756570) is 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide;2,2,2-trifluoroacetic acid is O=C(Cc1ncn2c1CCC2)Nc1nccs1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide;2,2,2-trifluoroacetic acid?
The InChIKey is RDLXSHIDLWCJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4OS.C2HF3O2/c16-10(14-11-12-3-5-17-11)6-8-9-2-1-4-15(9)7-13-8;3-2(4,5)1(6)7/h3,5,7H,1-2,4,6H2,(H,12,14,16);(H,6,7).
What are the key properties of 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide;2,2,2-trifluoroacetic acid?
2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide;2,2,2-trifluoroacetic acid has a molecular weight of 362.33 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175756570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).