[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(2-anilinothieno[2,3-d][1,3]thiazol-5-yl)methanone;dihydrochloride

C18H20Cl2N4OS2 — CID 120656623

IUPAC[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(2-anilinothieno[2,3-d][1,3]thiazol-5-yl)methanone;dihydrochloride
SMILESCl.Cl.O=C(c1cc2sc(Nc3ccccc3)nc2s1)N1C[C@H]2CNC[C@H]2C1
InChIInChI=1S/C18H18N4OS2.2ClH/c23-17(22-9-11-7-19-8-12(11)10-22)15-6-14-16(24-15)21-18(25-14)20-13-4-2-1-3-5-13;;/h1-6,11-12,19H,7-10H2,(H,20,21);2*1H/t11-,12+;;
InChIKeyPOGCWPGSNYZKCL-FYPKGCJUSA-N
MW443.43 g/mol
LogP4.24
Rot. Bonds3

About [(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(2-anilinothieno[2,3-d][1,3]thiazol-5-yl)methanone;dihydrochloride

[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(2-anilinothieno[2,3-d][1,3]thiazol-5-yl)methanone;dihydrochloride (PubChem CID 120656623) has the molecular formula C18H20Cl2N4OS2 and a molecular weight of 443.43 g/mol. Its IUPAC name is [(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(2-anilinothieno[2,3-d][1,3]thiazol-5-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(2-anilinothieno[2,3-d][1,3]thiazol-5-yl)methanone;dihydrochloride
PubChem CID120656623
Molecular FormulaC18H20Cl2N4OS2
Molecular Weight443.43 g/mol
Exact Mass442.05
IUPAC Name[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(2-anilinothieno[2,3-d][1,3]thiazol-5-yl)methanone;dihydrochloride
SMILESCl.Cl.O=C(c1cc2sc(Nc3ccccc3)nc2s1)N1C[C@H]2CNC[C@H]2C1
InChIInChI=1S/C18H18N4OS2.2ClH/c23-17(22-9-11-7-19-8-12(11)10-22)15-6-14-16(24-15)21-18(25-14)20-13-4-2-1-3-5-13;;/h1-6,11-12,19H,7-10H2,(H,20,21);2*1H/t11-,12+;;
InChIKeyPOGCWPGSNYZKCL-FYPKGCJUSA-N
XLogP4.24
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.43
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(2-anilinothieno[2,3-d][1,3]thiazol-5-yl)methanone;dihydrochloride with MolForge

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Related Compounds

[2-(aminomethyl)pyrrolidin-1-yl]-(2-anilinothieno[2,3-d][1,3]thiazol-5-yl)methanone;dihydrochloride
CID 119634519
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(2-anilinophenyl)methanone;hydrochloride
CID 120656529
2-anilino-N-(2-methylpiperidin-4-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide;dihydrochloride
CID 120600464
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(thiophen-2-yl)methanone
CID 66212768
N-(1-aminopropan-2-yl)-2-anilino-N-methylthieno[2,3-d][1,3]thiazole-5-carboxamide
CID 119585103
2-anilino-N-(furan-2-ylmethyl)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 17489929
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(5-bromothiophen-2-yl)methanone;hydrochloride
CID 120659073
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(5-nitro-1-benzothiophen-2-yl)methanone;hydrochloride
CID 120658742
[4-(aminomethyl)piperidin-1-yl]-[2-(2-methylanilino)thieno[2,3-d][1,3]thiazol-5-yl]methanone
CID 119424057
[1-(4-ethoxycarbonylpiperidin-1-yl)-1-oxopropan-2-yl] 2-anilinothieno[2,3-d][1,3]thiazole-5-carboxylate
CID 55472090
[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[2-(furan-2-yl)-1,3-thiazol-5-yl]methanone
CID 120656276
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone
CID 66211793

Frequently Asked Questions

What is the IUPAC name of [(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(2-anilinothieno[2,3-d][1,3]thiazol-5-yl)methanone;dihydrochloride?
The IUPAC name of [(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(2-anilinothieno[2,3-d][1,3]thiazol-5-yl)methanone;dihydrochloride (CID 120656623) is [(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(2-anilinothieno[2,3-d][1,3]thiazol-5-yl)methanone;dihydrochloride.
What is the SMILES notation for [(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(2-anilinothieno[2,3-d][1,3]thiazol-5-yl)methanone;dihydrochloride?
The canonical SMILES for [(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(2-anilinothieno[2,3-d][1,3]thiazol-5-yl)methanone;dihydrochloride is Cl.Cl.O=C(c1cc2sc(Nc3ccccc3)nc2s1)N1C[C@H]2CNC[C@H]2C1.
What is the InChIKey of [(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(2-anilinothieno[2,3-d][1,3]thiazol-5-yl)methanone;dihydrochloride?
The InChIKey is POGCWPGSNYZKCL-FYPKGCJUSA-N. The full InChI is InChI=1S/C18H18N4OS2.2ClH/c23-17(22-9-11-7-19-8-12(11)10-22)15-6-14-16(24-15)21-18(25-14)20-13-4-2-1-3-5-13;;/h1-6,11-12,19H,7-10H2,(H,20,21);2*1H/t11-,12+;;.
What are the key properties of [(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(2-anilinothieno[2,3-d][1,3]thiazol-5-yl)methanone;dihydrochloride?
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(2-anilinothieno[2,3-d][1,3]thiazol-5-yl)methanone;dihydrochloride has a molecular weight of 443.43 g/mol, XLogP of 4.24, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(2-anilinothieno[2,3-d][1,3]thiazol-5-yl)methanone;dihydrochloride is sourced from PubChem (CID 120656623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).