N'-(2-amino-2-methoxyethyl)-N-[4-[5-(aminomethyl)furan-2-yl]-1,3-thiazol-2-yl]methanimidamide

C12H17N5O2S — CID 67768400

IUPACN'-(2-amino-2-methoxyethyl)-N-[4-[5-(aminomethyl)furan-2-yl]-1,3-thiazol-2-yl]methanimidamide
SMILESCOC(N)C/N=C/Nc1nc(-c2ccc(CN)o2)cs1
InChIInChI=1S/C12H17N5O2S/c1-18-11(14)5-15-7-16-12-17-9(6-20-12)10-3-2-8(4-13)19-10/h2-3,6-7,11H,4-5,13-14H2,1H3,(H,15,16,17)
InChIKeyVEOLPRDTXPKQGB-UHFFFAOYSA-N
MW295.37 g/mol
LogP1.23
Rot. Bonds7

About N'-(2-amino-2-methoxyethyl)-N-[4-[5-(aminomethyl)furan-2-yl]-1,3-thiazol-2-yl]methanimidamide

N'-(2-amino-2-methoxyethyl)-N-[4-[5-(aminomethyl)furan-2-yl]-1,3-thiazol-2-yl]methanimidamide (PubChem CID 67768400) has the molecular formula C12H17N5O2S and a molecular weight of 295.37 g/mol. Its IUPAC name is N'-(2-amino-2-methoxyethyl)-N-[4-[5-(aminomethyl)furan-2-yl]-1,3-thiazol-2-yl]methanimidamide.

Molecular Properties

Compound NameN'-(2-amino-2-methoxyethyl)-N-[4-[5-(aminomethyl)furan-2-yl]-1,3-thiazol-2-yl]methanimidamide
PubChem CID67768400
Molecular FormulaC12H17N5O2S
Molecular Weight295.37 g/mol
Exact Mass295.11
IUPAC NameN'-(2-amino-2-methoxyethyl)-N-[4-[5-(aminomethyl)furan-2-yl]-1,3-thiazol-2-yl]methanimidamide
SMILESCOC(N)C/N=C/Nc1nc(-c2ccc(CN)o2)cs1
InChIInChI=1S/C12H17N5O2S/c1-18-11(14)5-15-7-16-12-17-9(6-20-12)10-3-2-8(4-13)19-10/h2-3,6-7,11H,4-5,13-14H2,1H3,(H,15,16,17)
InChIKeyVEOLPRDTXPKQGB-UHFFFAOYSA-N
XLogP1.23
TPSA111.69 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

[2-[[5-[2-[(2-amino-2-methoxyethyl)iminomethylamino]-1,3-thiazol-4-yl]furan-2-yl]methylamino]-2-oxoethyl] acetate
CID 67768716
N-[[5-[2-(2-aminoethyliminomethylamino)-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
CID 67768656
1-[4-[5-(aminomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(2-methylpropyl)guanidine
CID 57177289
4-[5-(aminomethyl)furan-2-yl]-2-[[methyl(propan-2-yl)sulfamoyl]amino]-1,3-thiazole
CID 61453559
N-[4-[5-(aminomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-methylpropane-2-sulfonamide
CID 63689366
1-[4-[5-(aminomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(2,2-dimethylpropyl)guanidine;dihydrochloride
CID 139729789
1-[4-[5-(aminomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-[2-(2-methoxyphenyl)ethyl]guanidine;dihydrochloride
CID 139729799
1-[4-[5-(aminomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-[(2-phenylphenyl)methyl]guanidine
CID 57205416
(2S)-N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-amino-4-methylpentanamide
CID 119696379
(2R)-N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-aminopropanamide;hydrochloride
CID 119274954
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-aminobutanamide;hydrochloride
CID 119696366
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-7-aminoheptanamide
CID 119696335

Frequently Asked Questions

What is the IUPAC name of N'-(2-amino-2-methoxyethyl)-N-[4-[5-(aminomethyl)furan-2-yl]-1,3-thiazol-2-yl]methanimidamide?
The IUPAC name of N'-(2-amino-2-methoxyethyl)-N-[4-[5-(aminomethyl)furan-2-yl]-1,3-thiazol-2-yl]methanimidamide (CID 67768400) is N'-(2-amino-2-methoxyethyl)-N-[4-[5-(aminomethyl)furan-2-yl]-1,3-thiazol-2-yl]methanimidamide.
What is the SMILES notation for N'-(2-amino-2-methoxyethyl)-N-[4-[5-(aminomethyl)furan-2-yl]-1,3-thiazol-2-yl]methanimidamide?
The canonical SMILES for N'-(2-amino-2-methoxyethyl)-N-[4-[5-(aminomethyl)furan-2-yl]-1,3-thiazol-2-yl]methanimidamide is COC(N)C/N=C/Nc1nc(-c2ccc(CN)o2)cs1.
What is the InChIKey of N'-(2-amino-2-methoxyethyl)-N-[4-[5-(aminomethyl)furan-2-yl]-1,3-thiazol-2-yl]methanimidamide?
The InChIKey is VEOLPRDTXPKQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2S/c1-18-11(14)5-15-7-16-12-17-9(6-20-12)10-3-2-8(4-13)19-10/h2-3,6-7,11H,4-5,13-14H2,1H3,(H,15,16,17).
What are the key properties of N'-(2-amino-2-methoxyethyl)-N-[4-[5-(aminomethyl)furan-2-yl]-1,3-thiazol-2-yl]methanimidamide?
N'-(2-amino-2-methoxyethyl)-N-[4-[5-(aminomethyl)furan-2-yl]-1,3-thiazol-2-yl]methanimidamide has a molecular weight of 295.37 g/mol, XLogP of 1.23, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-amino-2-methoxyethyl)-N-[4-[5-(aminomethyl)furan-2-yl]-1,3-thiazol-2-yl]methanimidamide is sourced from PubChem (CID 67768400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).