N-cyano-N'-(furan-2-ylmethyl)methanimidamide;2-(1,3-thiazol-2-yl)guanidine

C11H13N7OS — CID 174303347

IUPACN-cyano-N'-(furan-2-ylmethyl)methanimidamide;2-(1,3-thiazol-2-yl)guanidine
SMILESN#CN/C=N/Cc1ccco1.NC(N)=Nc1nccs1
InChIInChI=1S/C7H7N3O.C4H6N4S/c8-5-10-6-9-4-7-2-1-3-11-7;5-3(6)8-4-7-1-2-9-4/h1-3,6H,4H2,(H,9,10);1-2H,(H4,5,6,7,8)
InChIKeyZVDIORWXJCOHRE-UHFFFAOYSA-N
MW291.34 g/mol
LogP0.93
Rot. Bonds4

About N-cyano-N'-(furan-2-ylmethyl)methanimidamide;2-(1,3-thiazol-2-yl)guanidine

N-cyano-N'-(furan-2-ylmethyl)methanimidamide;2-(1,3-thiazol-2-yl)guanidine (PubChem CID 174303347) has the molecular formula C11H13N7OS and a molecular weight of 291.34 g/mol. Its IUPAC name is N-cyano-N'-(furan-2-ylmethyl)methanimidamide;2-(1,3-thiazol-2-yl)guanidine.

Molecular Properties

Compound NameN-cyano-N'-(furan-2-ylmethyl)methanimidamide;2-(1,3-thiazol-2-yl)guanidine
PubChem CID174303347
Molecular FormulaC11H13N7OS
Molecular Weight291.34 g/mol
Exact Mass291.09
IUPAC NameN-cyano-N'-(furan-2-ylmethyl)methanimidamide;2-(1,3-thiazol-2-yl)guanidine
SMILESN#CN/C=N/Cc1ccco1.NC(N)=Nc1nccs1
InChIInChI=1S/C7H7N3O.C4H6N4S/c8-5-10-6-9-4-7-2-1-3-11-7;5-3(6)8-4-7-1-2-9-4/h1-3,6H,4H2,(H,9,10);1-2H,(H4,5,6,7,8)
InChIKeyZVDIORWXJCOHRE-UHFFFAOYSA-N
XLogP0.93
TPSA138.61 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-N'-(furan-2-ylmethyl)methanimidamide;2-(1,3-thiazol-2-yl)guanidine?
The IUPAC name of N-cyano-N'-(furan-2-ylmethyl)methanimidamide;2-(1,3-thiazol-2-yl)guanidine (CID 174303347) is N-cyano-N'-(furan-2-ylmethyl)methanimidamide;2-(1,3-thiazol-2-yl)guanidine.
What is the SMILES notation for N-cyano-N'-(furan-2-ylmethyl)methanimidamide;2-(1,3-thiazol-2-yl)guanidine?
The canonical SMILES for N-cyano-N'-(furan-2-ylmethyl)methanimidamide;2-(1,3-thiazol-2-yl)guanidine is N#CN/C=N/Cc1ccco1.NC(N)=Nc1nccs1.
What is the InChIKey of N-cyano-N'-(furan-2-ylmethyl)methanimidamide;2-(1,3-thiazol-2-yl)guanidine?
The InChIKey is ZVDIORWXJCOHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O.C4H6N4S/c8-5-10-6-9-4-7-2-1-3-11-7;5-3(6)8-4-7-1-2-9-4/h1-3,6H,4H2,(H,9,10);1-2H,(H4,5,6,7,8).
What are the key properties of N-cyano-N'-(furan-2-ylmethyl)methanimidamide;2-(1,3-thiazol-2-yl)guanidine?
N-cyano-N'-(furan-2-ylmethyl)methanimidamide;2-(1,3-thiazol-2-yl)guanidine has a molecular weight of 291.34 g/mol, XLogP of 0.93, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyano-N'-(furan-2-ylmethyl)methanimidamide;2-(1,3-thiazol-2-yl)guanidine is sourced from PubChem (CID 174303347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).