[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-(4-methyl-1,3-thiazol-2-yl)methanamine

C11H13FN4S — CID 176599536

IUPAC[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-(4-methyl-1,3-thiazol-2-yl)methanamine
SMILESCc1csc(C(N)c2ncn3c2C[C@@H](F)C3)n1
InChIInChI=1S/C11H13FN4S/c1-6-4-17-11(15-6)9(13)10-8-2-7(12)3-16(8)5-14-10/h4-5,7,9H,2-3,13H2,1H3/t7-,9?/m1/s1
InChIKeyOLPQEVQTIDOMOE-YOXFSPIKSA-N
MW252.32 g/mol
LogP1.59
Rot. Bonds2

About [(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-(4-methyl-1,3-thiazol-2-yl)methanamine

[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-(4-methyl-1,3-thiazol-2-yl)methanamine (PubChem CID 176599536) has the molecular formula C11H13FN4S and a molecular weight of 252.32 g/mol. Its IUPAC name is [(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-(4-methyl-1,3-thiazol-2-yl)methanamine.

Molecular Properties

Compound Name[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-(4-methyl-1,3-thiazol-2-yl)methanamine
PubChem CID176599536
Molecular FormulaC11H13FN4S
Molecular Weight252.32 g/mol
Exact Mass252.08
IUPAC Name[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-(4-methyl-1,3-thiazol-2-yl)methanamine
SMILESCc1csc(C(N)c2ncn3c2C[C@@H](F)C3)n1
InChIInChI=1S/C11H13FN4S/c1-6-4-17-11(15-6)9(13)10-8-2-7(12)3-16(8)5-14-10/h4-5,7,9H,2-3,13H2,1H3/t7-,9?/m1/s1
InChIKeyOLPQEVQTIDOMOE-YOXFSPIKSA-N
XLogP1.59
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-(4-methyl-1,3-thiazol-2-yl)methanamine?
The IUPAC name of [(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-(4-methyl-1,3-thiazol-2-yl)methanamine (CID 176599536) is [(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-(4-methyl-1,3-thiazol-2-yl)methanamine.
What is the SMILES notation for [(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-(4-methyl-1,3-thiazol-2-yl)methanamine?
The canonical SMILES for [(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-(4-methyl-1,3-thiazol-2-yl)methanamine is Cc1csc(C(N)c2ncn3c2C[C@@H](F)C3)n1.
What is the InChIKey of [(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-(4-methyl-1,3-thiazol-2-yl)methanamine?
The InChIKey is OLPQEVQTIDOMOE-YOXFSPIKSA-N. The full InChI is InChI=1S/C11H13FN4S/c1-6-4-17-11(15-6)9(13)10-8-2-7(12)3-16(8)5-14-10/h4-5,7,9H,2-3,13H2,1H3/t7-,9?/m1/s1.
What are the key properties of [(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-(4-methyl-1,3-thiazol-2-yl)methanamine?
[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-(4-methyl-1,3-thiazol-2-yl)methanamine has a molecular weight of 252.32 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-(4-methyl-1,3-thiazol-2-yl)methanamine is sourced from PubChem (CID 176599536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).