N-cyano-2-(diaminomethylideneamino)-N'-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboximidamide

C10H14N8S — CID 3062340

IUPACN-cyano-2-(diaminomethylideneamino)-N'-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboximidamide
SMILESC/N=C(\NC#N)N1CCc2nc(N=C(N)N)sc2C1
InChIInChI=1S/C10H14N8S/c1-14-9(15-5-11)18-3-2-6-7(4-18)19-10(16-6)17-8(12)13/h2-4H2,1H3,(H,14,15)(H4,12,13,16,17)
InChIKeyCABLXOSRJXFZBX-UHFFFAOYSA-N
MW278.34 g/mol
LogP-0.54
Rot. Bonds1

About N-cyano-2-(diaminomethylideneamino)-N'-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboximidamide

N-cyano-2-(diaminomethylideneamino)-N'-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboximidamide (PubChem CID 3062340) has the molecular formula C10H14N8S and a molecular weight of 278.34 g/mol. Its IUPAC name is N-cyano-2-(diaminomethylideneamino)-N'-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboximidamide.

Molecular Properties

Compound NameN-cyano-2-(diaminomethylideneamino)-N'-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboximidamide
PubChem CID3062340
Molecular FormulaC10H14N8S
Molecular Weight278.34 g/mol
Exact Mass278.11
IUPAC NameN-cyano-2-(diaminomethylideneamino)-N'-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboximidamide
SMILESC/N=C(\NC#N)N1CCc2nc(N=C(N)N)sc2C1
InChIInChI=1S/C10H14N8S/c1-14-9(15-5-11)18-3-2-6-7(4-18)19-10(16-6)17-8(12)13/h2-4H2,1H3,(H,14,15)(H4,12,13,16,17)
InChIKeyCABLXOSRJXFZBX-UHFFFAOYSA-N
XLogP-0.54
TPSA128.71 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'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 N-cyano-2-(diaminomethylideneamino)-N'-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboximidamide?
The IUPAC name of N-cyano-2-(diaminomethylideneamino)-N'-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboximidamide (CID 3062340) is N-cyano-2-(diaminomethylideneamino)-N'-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboximidamide.
What is the SMILES notation for N-cyano-2-(diaminomethylideneamino)-N'-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboximidamide?
The canonical SMILES for N-cyano-2-(diaminomethylideneamino)-N'-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboximidamide is C/N=C(\NC#N)N1CCc2nc(N=C(N)N)sc2C1.
What is the InChIKey of N-cyano-2-(diaminomethylideneamino)-N'-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboximidamide?
The InChIKey is CABLXOSRJXFZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N8S/c1-14-9(15-5-11)18-3-2-6-7(4-18)19-10(16-6)17-8(12)13/h2-4H2,1H3,(H,14,15)(H4,12,13,16,17).
What are the key properties of N-cyano-2-(diaminomethylideneamino)-N'-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboximidamide?
N-cyano-2-(diaminomethylideneamino)-N'-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboximidamide has a molecular weight of 278.34 g/mol, XLogP of -0.54, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyano-2-(diaminomethylideneamino)-N'-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboximidamide is sourced from PubChem (CID 3062340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).