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

C11H12ClFN4OS — CID 169093088

IUPAC2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide;hydrochloride
SMILESCl.O=C(Cc1ncn2c1C[C@@H](F)C2)Nc1nccs1
InChIInChI=1S/C11H11FN4OS.ClH/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);1H/t7-;/m1./s1
InChIKeyDIOZVKZIXJNEJD-OGFXRTJISA-N
MW302.76 g/mol
LogP1.84
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;hydrochloride

2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide;hydrochloride (PubChem CID 169093088) has the molecular formula C11H12ClFN4OS and a molecular weight of 302.76 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;hydrochloride.

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;hydrochloride
PubChem CID169093088
Molecular FormulaC11H12ClFN4OS
Molecular Weight302.76 g/mol
Exact Mass302.04
IUPAC Name2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide;hydrochloride
SMILESCl.O=C(Cc1ncn2c1C[C@@H](F)C2)Nc1nccs1
InChIInChI=1S/C11H11FN4OS.ClH/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);1H/t7-;/m1./s1
InChIKeyDIOZVKZIXJNEJD-OGFXRTJISA-N
XLogP1.84
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 51.84
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;hydrochloride?
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;hydrochloride (CID 169093088) is 2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide;hydrochloride.
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;hydrochloride?
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;hydrochloride is 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;hydrochloride?
The InChIKey is DIOZVKZIXJNEJD-OGFXRTJISA-N. The full InChI is InChI=1S/C11H11FN4OS.ClH/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);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;hydrochloride?
2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide;hydrochloride has a molecular weight of 302.76 g/mol, XLogP of 1.84, 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;hydrochloride is sourced from PubChem (CID 169093088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).