2-[5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]furan-2-yl]-N'-sulfamoylethanimidamide

C10H13N7O3S2 — CID 10360071

IUPAC2-[5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]furan-2-yl]-N'-sulfamoylethanimidamide
SMILESNC(N)=Nc1nc(-c2ccc(C/C(N)=N/S(N)(=O)=O)o2)cs1
InChIInChI=1S/C10H13N7O3S2/c11-8(17-22(14,18)19)3-5-1-2-7(20-5)6-4-21-10(15-6)16-9(12)13/h1-2,4H,3H2,(H2,11,17)(H2,14,18,19)(H4,12,13,15,16)
InChIKeyFIUCOPPPHWBNBF-UHFFFAOYSA-N
MW343.39 g/mol
LogP-0.59
Rot. Bonds5

About 2-[5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]furan-2-yl]-N'-sulfamoylethanimidamide

2-[5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]furan-2-yl]-N'-sulfamoylethanimidamide (PubChem CID 10360071) has the molecular formula C10H13N7O3S2 and a molecular weight of 343.39 g/mol. Its IUPAC name is 2-[5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]furan-2-yl]-N'-sulfamoylethanimidamide.

Molecular Properties

Compound Name2-[5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]furan-2-yl]-N'-sulfamoylethanimidamide
PubChem CID10360071
Molecular FormulaC10H13N7O3S2
Molecular Weight343.39 g/mol
Exact Mass343.05
IUPAC Name2-[5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]furan-2-yl]-N'-sulfamoylethanimidamide
SMILESNC(N)=Nc1nc(-c2ccc(C/C(N)=N/S(N)(=O)=O)o2)cs1
InChIInChI=1S/C10H13N7O3S2/c11-8(17-22(14,18)19)3-5-1-2-7(20-5)6-4-21-10(15-6)16-9(12)13/h1-2,4H,3H2,(H2,11,17)(H2,14,18,19)(H4,12,13,15,16)
InChIKeyFIUCOPPPHWBNBF-UHFFFAOYSA-N
XLogP-0.59
TPSA188.97 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 5-0.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]furan-2-yl]-N'-sulfamoylethanimidamide?
The IUPAC name of 2-[5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]furan-2-yl]-N'-sulfamoylethanimidamide (CID 10360071) is 2-[5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]furan-2-yl]-N'-sulfamoylethanimidamide.
What is the SMILES notation for 2-[5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]furan-2-yl]-N'-sulfamoylethanimidamide?
The canonical SMILES for 2-[5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]furan-2-yl]-N'-sulfamoylethanimidamide is NC(N)=Nc1nc(-c2ccc(C/C(N)=N/S(N)(=O)=O)o2)cs1.
What is the InChIKey of 2-[5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]furan-2-yl]-N'-sulfamoylethanimidamide?
The InChIKey is FIUCOPPPHWBNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N7O3S2/c11-8(17-22(14,18)19)3-5-1-2-7(20-5)6-4-21-10(15-6)16-9(12)13/h1-2,4H,3H2,(H2,11,17)(H2,14,18,19)(H4,12,13,15,16).
What are the key properties of 2-[5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]furan-2-yl]-N'-sulfamoylethanimidamide?
2-[5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]furan-2-yl]-N'-sulfamoylethanimidamide has a molecular weight of 343.39 g/mol, XLogP of -0.59, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]furan-2-yl]-N'-sulfamoylethanimidamide is sourced from PubChem (CID 10360071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).