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

C11H13Cl2FN4OS — CID 162718524

IUPAC2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide;dihydrochloride
SMILESCl.Cl.O=C(Cc1ncn2c1C[C@@H](F)C2)Nc1nccs1
InChIInChI=1S/C11H11FN4OS.2ClH/c12-7-3-9-8(14-6-16(9)5-7)4-10(17)15-11-13-1-2-18-11;;/h1-2,6-7H,3-5H2,(H,13,15,17);2*1H/t7-;;/m1../s1
InChIKeyBNMOLGPKSYFLSC-XCUBXKJBSA-N
MW339.22 g/mol
LogP2.26
Rot. Bonds3

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

2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide;dihydrochloride (PubChem CID 162718524) has the molecular formula C11H13Cl2FN4OS and a molecular weight of 339.22 g/mol. Its IUPAC name is 2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide;dihydrochloride.

Molecular Properties

Compound Name2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide;dihydrochloride
PubChem CID162718524
Molecular FormulaC11H13Cl2FN4OS
Molecular Weight339.22 g/mol
Exact Mass338.02
IUPAC Name2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide;dihydrochloride
SMILESCl.Cl.O=C(Cc1ncn2c1C[C@@H](F)C2)Nc1nccs1
InChIInChI=1S/C11H11FN4OS.2ClH/c12-7-3-9-8(14-6-16(9)5-7)4-10(17)15-11-13-1-2-18-11;;/h1-2,6-7H,3-5H2,(H,13,15,17);2*1H/t7-;;/m1../s1
InChIKeyBNMOLGPKSYFLSC-XCUBXKJBSA-N
XLogP2.26
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.22
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide;dihydrochloride?
The IUPAC name of 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) is 2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide;dihydrochloride.
What is the SMILES notation for 2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide;dihydrochloride?
The canonical SMILES for 2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide;dihydrochloride is Cl.Cl.O=C(Cc1ncn2c1C[C@@H](F)C2)Nc1nccs1.
What is the InChIKey of 2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide;dihydrochloride?
The InChIKey is BNMOLGPKSYFLSC-XCUBXKJBSA-N. The full InChI is InChI=1S/C11H11FN4OS.2ClH/c12-7-3-9-8(14-6-16(9)5-7)4-10(17)15-11-13-1-2-18-11;;/h1-2,6-7H,3-5H2,(H,13,15,17);2*1H/t7-;;/m1../s1.
What are the key properties of 2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide;dihydrochloride?
2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide;dihydrochloride has a molecular weight of 339.22 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide;dihydrochloride is sourced from PubChem (CID 162718524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).