2-(5,5-dimethyl-6,7-dihydropyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide

C13H16N4OS — CID 169087201

IUPAC2-(5,5-dimethyl-6,7-dihydropyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
SMILESCC1(C)CCc2c(CC(=O)Nc3nccs3)ncn21
InChIInChI=1S/C13H16N4OS/c1-13(2)4-3-10-9(15-8-17(10)13)7-11(18)16-12-14-5-6-19-12/h5-6,8H,3-4,7H2,1-2H3,(H,14,16,18)
InChIKeyAVPROCLKKONHTN-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.20
Rot. Bonds3

About 2-(5,5-dimethyl-6,7-dihydropyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide

2-(5,5-dimethyl-6,7-dihydropyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 169087201) has the molecular formula C13H16N4OS and a molecular weight of 276.36 g/mol. Its IUPAC name is 2-(5,5-dimethyl-6,7-dihydropyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(5,5-dimethyl-6,7-dihydropyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
PubChem CID169087201
Molecular FormulaC13H16N4OS
Molecular Weight276.36 g/mol
Exact Mass276.10
IUPAC Name2-(5,5-dimethyl-6,7-dihydropyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
SMILESCC1(C)CCc2c(CC(=O)Nc3nccs3)ncn21
InChIInChI=1S/C13H16N4OS/c1-13(2)4-3-10-9(15-8-17(10)13)7-11(18)16-12-14-5-6-19-12/h5-6,8H,3-4,7H2,1-2H3,(H,14,16,18)
InChIKeyAVPROCLKKONHTN-UHFFFAOYSA-N
XLogP2.20
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4,5,6,7-Tetrahydro-2-benzothiazolyl)imidazo[2,1-b]thiazole-6-acetamide
CID 2999952
N-(6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 2997762
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)-2-[4-ethenyl-3-[(1E)-1-fluorobuta-1,3-dienyl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 156798838
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
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
N-(6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide;hepta-1,2,3,4,5,6-hexaene
CID 160300521
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-spiro[6,7-dihydropyrrolo[1,2-c]imidazole-5,1'-cyclopropane]-1-yl-N-(1,3-thiazol-2-yl)acetamide
CID 169087202

Frequently Asked Questions

What is the IUPAC name of 2-(5,5-dimethyl-6,7-dihydropyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(5,5-dimethyl-6,7-dihydropyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide (CID 169087201) is 2-(5,5-dimethyl-6,7-dihydropyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(5,5-dimethyl-6,7-dihydropyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(5,5-dimethyl-6,7-dihydropyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide is CC1(C)CCc2c(CC(=O)Nc3nccs3)ncn21.
What is the InChIKey of 2-(5,5-dimethyl-6,7-dihydropyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is AVPROCLKKONHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-13(2)4-3-10-9(15-8-17(10)13)7-11(18)16-12-14-5-6-19-12/h5-6,8H,3-4,7H2,1-2H3,(H,14,16,18).
What are the key properties of 2-(5,5-dimethyl-6,7-dihydropyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide?
2-(5,5-dimethyl-6,7-dihydropyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 276.36 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,5-dimethyl-6,7-dihydropyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 169087201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).