2-[5-[4-(methylamino)-1,1-dioxo-1,2,5-thiadiazolidin-3-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]guanidine

C10H18N8O2S2 — CID 3088604

IUPAC2-[5-[4-(methylamino)-1,1-dioxo-1,2,5-thiadiazolidin-3-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]guanidine
SMILESCNC1NS(=O)(=O)NC1N1CCc2nc(N=C(N)N)sc2C1
InChIInChI=1S/C10H18N8O2S2/c1-13-7-8(17-22(19,20)16-7)18-3-2-5-6(4-18)21-10(14-5)15-9(11)12/h7-8,13,16-17H,2-4H2,1H3,(H4,11,12,14,15)
InChIKeyKEKFFTFOPQBVHK-UHFFFAOYSA-N
MW346.44 g/mol
LogP-2.28
Rot. Bonds3

About 2-[5-[4-(methylamino)-1,1-dioxo-1,2,5-thiadiazolidin-3-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]guanidine

2-[5-[4-(methylamino)-1,1-dioxo-1,2,5-thiadiazolidin-3-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]guanidine (PubChem CID 3088604) has the molecular formula C10H18N8O2S2 and a molecular weight of 346.44 g/mol. Its IUPAC name is 2-[5-[4-(methylamino)-1,1-dioxo-1,2,5-thiadiazolidin-3-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]guanidine.

Molecular Properties

Compound Name2-[5-[4-(methylamino)-1,1-dioxo-1,2,5-thiadiazolidin-3-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]guanidine
PubChem CID3088604
Molecular FormulaC10H18N8O2S2
Molecular Weight346.44 g/mol
Exact Mass346.10
IUPAC Name2-[5-[4-(methylamino)-1,1-dioxo-1,2,5-thiadiazolidin-3-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]guanidine
SMILESCNC1NS(=O)(=O)NC1N1CCc2nc(N=C(N)N)sc2C1
InChIInChI=1S/C10H18N8O2S2/c1-13-7-8(17-22(19,20)16-7)18-3-2-5-6(4-18)21-10(14-5)15-9(11)12/h7-8,13,16-17H,2-4H2,1H3,(H4,11,12,14,15)
InChIKeyKEKFFTFOPQBVHK-UHFFFAOYSA-N
XLogP-2.28
TPSA150.76 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 5-2.28
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-(methylamino)-1,1-dioxo-1,2,5-thiadiazolidin-3-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]guanidine?
The IUPAC name of 2-[5-[4-(methylamino)-1,1-dioxo-1,2,5-thiadiazolidin-3-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]guanidine (CID 3088604) is 2-[5-[4-(methylamino)-1,1-dioxo-1,2,5-thiadiazolidin-3-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]guanidine.
What is the SMILES notation for 2-[5-[4-(methylamino)-1,1-dioxo-1,2,5-thiadiazolidin-3-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]guanidine?
The canonical SMILES for 2-[5-[4-(methylamino)-1,1-dioxo-1,2,5-thiadiazolidin-3-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]guanidine is CNC1NS(=O)(=O)NC1N1CCc2nc(N=C(N)N)sc2C1.
What is the InChIKey of 2-[5-[4-(methylamino)-1,1-dioxo-1,2,5-thiadiazolidin-3-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]guanidine?
The InChIKey is KEKFFTFOPQBVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N8O2S2/c1-13-7-8(17-22(19,20)16-7)18-3-2-5-6(4-18)21-10(14-5)15-9(11)12/h7-8,13,16-17H,2-4H2,1H3,(H4,11,12,14,15).
What are the key properties of 2-[5-[4-(methylamino)-1,1-dioxo-1,2,5-thiadiazolidin-3-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]guanidine?
2-[5-[4-(methylamino)-1,1-dioxo-1,2,5-thiadiazolidin-3-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]guanidine has a molecular weight of 346.44 g/mol, XLogP of -2.28, 3 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-(methylamino)-1,1-dioxo-1,2,5-thiadiazolidin-3-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]guanidine is sourced from PubChem (CID 3088604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).