2-[2-[(6S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl]phenyl]-1,3-thiazole

C15H13N3S — CID 44574077

IUPAC2-[2-[(6S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl]phenyl]-1,3-thiazole
SMILESc1ccc([C@@H]2Cc3nccn3C2)c(-c2nccs2)c1
InChIInChI=1S/C15H13N3S/c1-2-4-13(15-17-6-8-19-15)12(3-1)11-9-14-16-5-7-18(14)10-11/h1-8,11H,9-10H2/t11-/m1/s1
InChIKeyIXNQNKUBBRFMIS-LLVKDONJSA-N
MW267.36 g/mol
LogP3.35
Rot. Bonds2

About 2-[2-[(6S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl]phenyl]-1,3-thiazole

2-[2-[(6S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl]phenyl]-1,3-thiazole (PubChem CID 44574077) has the molecular formula C15H13N3S and a molecular weight of 267.36 g/mol. Its IUPAC name is 2-[2-[(6S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl]phenyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[2-[(6S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl]phenyl]-1,3-thiazole
PubChem CID44574077
Molecular FormulaC15H13N3S
Molecular Weight267.36 g/mol
Exact Mass267.08
IUPAC Name2-[2-[(6S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl]phenyl]-1,3-thiazole
SMILESc1ccc([C@@H]2Cc3nccn3C2)c(-c2nccs2)c1
InChIInChI=1S/C15H13N3S/c1-2-4-13(15-17-6-8-19-15)12(3-1)11-9-14-16-5-7-18(14)10-11/h1-8,11H,9-10H2/t11-/m1/s1
InChIKeyIXNQNKUBBRFMIS-LLVKDONJSA-N
XLogP3.35
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(6S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl]phenyl]-1,3-thiazole?
The IUPAC name of 2-[2-[(6S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl]phenyl]-1,3-thiazole (CID 44574077) is 2-[2-[(6S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl]phenyl]-1,3-thiazole.
What is the SMILES notation for 2-[2-[(6S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl]phenyl]-1,3-thiazole?
The canonical SMILES for 2-[2-[(6S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl]phenyl]-1,3-thiazole is c1ccc([C@@H]2Cc3nccn3C2)c(-c2nccs2)c1.
What is the InChIKey of 2-[2-[(6S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl]phenyl]-1,3-thiazole?
The InChIKey is IXNQNKUBBRFMIS-LLVKDONJSA-N. The full InChI is InChI=1S/C15H13N3S/c1-2-4-13(15-17-6-8-19-15)12(3-1)11-9-14-16-5-7-18(14)10-11/h1-8,11H,9-10H2/t11-/m1/s1.
What are the key properties of 2-[2-[(6S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl]phenyl]-1,3-thiazole?
2-[2-[(6S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl]phenyl]-1,3-thiazole has a molecular weight of 267.36 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(6S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl]phenyl]-1,3-thiazole is sourced from PubChem (CID 44574077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).