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

C11H13FN4S — CID 175934566

IUPACN-[2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]ethyl]-1,3-thiazol-2-amine
SMILESF[C@@H]1Cc2c(CCNc3nccs3)ncn2C1
InChIInChI=1S/C11H13FN4S/c12-8-5-10-9(15-7-16(10)6-8)1-2-13-11-14-3-4-17-11/h3-4,7-8H,1-2,5-6H2,(H,13,14)/t8-/m1/s1
InChIKeyTZXDWBWTNNANRC-MRVPVSSYSA-N
MW252.32 g/mol
LogP1.89
Rot. Bonds4

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

N-[2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]ethyl]-1,3-thiazol-2-amine (PubChem CID 175934566) has the molecular formula C11H13FN4S and a molecular weight of 252.32 g/mol. Its IUPAC name is N-[2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]ethyl]-1,3-thiazol-2-amine
PubChem CID175934566
Molecular FormulaC11H13FN4S
Molecular Weight252.32 g/mol
Exact Mass252.08
IUPAC NameN-[2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]ethyl]-1,3-thiazol-2-amine
SMILESF[C@@H]1Cc2c(CCNc3nccs3)ncn2C1
InChIInChI=1S/C11H13FN4S/c12-8-5-10-9(15-7-16(10)6-8)1-2-13-11-14-3-4-17-11/h3-4,7-8H,1-2,5-6H2,(H,13,14)/t8-/m1/s1
InChIKeyTZXDWBWTNNANRC-MRVPVSSYSA-N
XLogP1.89
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]ethyl]-1,3-thiazol-2-amine?
The IUPAC name of N-[2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]ethyl]-1,3-thiazol-2-amine (CID 175934566) is N-[2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]ethyl]-1,3-thiazol-2-amine is F[C@@H]1Cc2c(CCNc3nccs3)ncn2C1.
What is the InChIKey of N-[2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]ethyl]-1,3-thiazol-2-amine?
The InChIKey is TZXDWBWTNNANRC-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H13FN4S/c12-8-5-10-9(15-7-16(10)6-8)1-2-13-11-14-3-4-17-11/h3-4,7-8H,1-2,5-6H2,(H,13,14)/t8-/m1/s1.
What are the key properties of N-[2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]ethyl]-1,3-thiazol-2-amine?
N-[2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]ethyl]-1,3-thiazol-2-amine has a molecular weight of 252.32 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 175934566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).