[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-imidazo[2,1-b][1,3]thiazol-6-ylmethanone;hydrochloride

C12H15ClN4OS — CID 154895099

IUPAC[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-imidazo[2,1-b][1,3]thiazol-6-ylmethanone;hydrochloride
SMILESCl.O=C(c1cn2ccsc2n1)N1CC[C@H]2CNC[C@H]21
InChIInChI=1S/C12H14N4OS.ClH/c17-11(9-7-15-3-4-18-12(15)14-9)16-2-1-8-5-13-6-10(8)16;/h3-4,7-8,10,13H,1-2,5-6H2;1H/t8-,10+;/m0./s1
InChIKeyIQPMDURAJSADAD-KXNXZCPBSA-N
MW298.80 g/mol
LogP1.25
Rot. Bonds1

About [(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-imidazo[2,1-b][1,3]thiazol-6-ylmethanone;hydrochloride

[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-imidazo[2,1-b][1,3]thiazol-6-ylmethanone;hydrochloride (PubChem CID 154895099) has the molecular formula C12H15ClN4OS and a molecular weight of 298.80 g/mol. Its IUPAC name is [(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-imidazo[2,1-b][1,3]thiazol-6-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-imidazo[2,1-b][1,3]thiazol-6-ylmethanone;hydrochloride
PubChem CID154895099
Molecular FormulaC12H15ClN4OS
Molecular Weight298.80 g/mol
Exact Mass298.07
IUPAC Name[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-imidazo[2,1-b][1,3]thiazol-6-ylmethanone;hydrochloride
SMILESCl.O=C(c1cn2ccsc2n1)N1CC[C@H]2CNC[C@H]21
InChIInChI=1S/C12H14N4OS.ClH/c17-11(9-7-15-3-4-18-12(15)14-9)16-2-1-8-5-13-6-10(8)16;/h3-4,7-8,10,13H,1-2,5-6H2;1H/t8-,10+;/m0./s1
InChIKeyIQPMDURAJSADAD-KXNXZCPBSA-N
XLogP1.25
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.80
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-imidazo[2,1-b][1,3]thiazol-6-ylmethanone;hydrochloride with MolForge

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Related Compounds

[(4S,4aR,8aR)-4-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-imidazo[2,1-b][1,3]thiazol-6-ylmethanone
CID 71085990
[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 103120579
5-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl]-1H-pyrazin-2-one
CID 43594544
[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 43594569
1-[(4aR,7aS)-4-(imidazo[2,1-b][1,3]thiazole-6-carbonyl)-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-1-yl]propan-1-one
CID 70707101
[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(3-chlorothiophen-2-yl)methanone
CID 80640867
[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(3-methoxythiophen-2-yl)methanone
CID 81122591
4-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl]-1,3-dihydroimidazol-2-one
CID 43594545
[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(furan-3-yl)methanone
CID 43594630
[(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(4-fluorophenyl)methanone
CID 124652211
imidazo[2,1-b][1,3]thiazol-6-yl-[2-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone
CID 70754166
2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl(1,2,5-thiadiazol-3-yl)methanone
CID 102679272

Frequently Asked Questions

What is the IUPAC name of [(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-imidazo[2,1-b][1,3]thiazol-6-ylmethanone;hydrochloride?
The IUPAC name of [(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-imidazo[2,1-b][1,3]thiazol-6-ylmethanone;hydrochloride (CID 154895099) is [(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-imidazo[2,1-b][1,3]thiazol-6-ylmethanone;hydrochloride.
What is the SMILES notation for [(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-imidazo[2,1-b][1,3]thiazol-6-ylmethanone;hydrochloride?
The canonical SMILES for [(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-imidazo[2,1-b][1,3]thiazol-6-ylmethanone;hydrochloride is Cl.O=C(c1cn2ccsc2n1)N1CC[C@H]2CNC[C@H]21.
What is the InChIKey of [(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-imidazo[2,1-b][1,3]thiazol-6-ylmethanone;hydrochloride?
The InChIKey is IQPMDURAJSADAD-KXNXZCPBSA-N. The full InChI is InChI=1S/C12H14N4OS.ClH/c17-11(9-7-15-3-4-18-12(15)14-9)16-2-1-8-5-13-6-10(8)16;/h3-4,7-8,10,13H,1-2,5-6H2;1H/t8-,10+;/m0./s1.
What are the key properties of [(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-imidazo[2,1-b][1,3]thiazol-6-ylmethanone;hydrochloride?
[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-imidazo[2,1-b][1,3]thiazol-6-ylmethanone;hydrochloride has a molecular weight of 298.80 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-imidazo[2,1-b][1,3]thiazol-6-ylmethanone;hydrochloride is sourced from PubChem (CID 154895099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).