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

C9H14N6OS — CID 3062334

IUPAC2-(diaminomethylideneamino)-N-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
SMILESCNC(=O)N1CCc2nc(N=C(N)N)sc2C1
InChIInChI=1S/C9H14N6OS/c1-12-9(16)15-3-2-5-6(4-15)17-8(13-5)14-7(10)11/h2-4H2,1H3,(H,12,16)(H4,10,11,13,14)
InChIKeyFTJBELIYPFVLBM-UHFFFAOYSA-N
MW254.32 g/mol
LogP-0.25
Rot. Bonds1

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

2-(diaminomethylideneamino)-N-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide (PubChem CID 3062334) has the molecular formula C9H14N6OS and a molecular weight of 254.32 g/mol. Its IUPAC name is 2-(diaminomethylideneamino)-N-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name2-(diaminomethylideneamino)-N-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
PubChem CID3062334
Molecular FormulaC9H14N6OS
Molecular Weight254.32 g/mol
Exact Mass254.09
IUPAC Name2-(diaminomethylideneamino)-N-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
SMILESCNC(=O)N1CCc2nc(N=C(N)N)sc2C1
InChIInChI=1S/C9H14N6OS/c1-12-9(16)15-3-2-5-6(4-15)17-8(13-5)14-7(10)11/h2-4H2,1H3,(H,12,16)(H4,10,11,13,14)
InChIKeyFTJBELIYPFVLBM-UHFFFAOYSA-N
XLogP-0.25
TPSA109.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-(diaminomethylideneamino)-N-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide?
The IUPAC name of 2-(diaminomethylideneamino)-N-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide (CID 3062334) is 2-(diaminomethylideneamino)-N-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide.
What is the SMILES notation for 2-(diaminomethylideneamino)-N-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide?
The canonical SMILES for 2-(diaminomethylideneamino)-N-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide is CNC(=O)N1CCc2nc(N=C(N)N)sc2C1.
What is the InChIKey of 2-(diaminomethylideneamino)-N-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide?
The InChIKey is FTJBELIYPFVLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6OS/c1-12-9(16)15-3-2-5-6(4-15)17-8(13-5)14-7(10)11/h2-4H2,1H3,(H,12,16)(H4,10,11,13,14).
What are the key properties of 2-(diaminomethylideneamino)-N-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide?
2-(diaminomethylideneamino)-N-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide has a molecular weight of 254.32 g/mol, XLogP of -0.25, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diaminomethylideneamino)-N-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide is sourced from PubChem (CID 3062334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).