1-[4-[5-(aminomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(2-methylpropyl)guanidine

C13H19N5OS — CID 57177289

IUPAC1-[4-[5-(aminomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(2-methylpropyl)guanidine
SMILESCC(C)C/N=C(\N)Nc1nc(-c2ccc(CN)o2)cs1
InChIInChI=1S/C13H19N5OS/c1-8(2)6-16-12(15)18-13-17-10(7-20-13)11-4-3-9(5-14)19-11/h3-4,7-8H,5-6,14H2,1-2H3,(H3,15,16,17,18)
InChIKeyOQDLFDRIJQSBON-UHFFFAOYSA-N
MW293.40 g/mol
LogP2.24
Rot. Bonds5

About 1-[4-[5-(aminomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(2-methylpropyl)guanidine

1-[4-[5-(aminomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(2-methylpropyl)guanidine (PubChem CID 57177289) has the molecular formula C13H19N5OS and a molecular weight of 293.40 g/mol. Its IUPAC name is 1-[4-[5-(aminomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(2-methylpropyl)guanidine.

Molecular Properties

Compound Name1-[4-[5-(aminomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(2-methylpropyl)guanidine
PubChem CID57177289
Molecular FormulaC13H19N5OS
Molecular Weight293.40 g/mol
Exact Mass293.13
IUPAC Name1-[4-[5-(aminomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(2-methylpropyl)guanidine
SMILESCC(C)C/N=C(\N)Nc1nc(-c2ccc(CN)o2)cs1
InChIInChI=1S/C13H19N5OS/c1-8(2)6-16-12(15)18-13-17-10(7-20-13)11-4-3-9(5-14)19-11/h3-4,7-8H,5-6,14H2,1-2H3,(H3,15,16,17,18)
InChIKeyOQDLFDRIJQSBON-UHFFFAOYSA-N
XLogP2.24
TPSA102.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

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-phenylphenyl)methyl]guanidine
CID 57205416
1-[4-[5-(aminomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-[2-(2-methoxyphenyl)ethyl]guanidine;dihydrochloride
CID 139729799
N-[[5-[2-[[N'-(3-methylbut-2-enyl)carbamimidoyl]amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
CID 54210566
4-[5-(aminomethyl)furan-2-yl]-2-[[methyl(propan-2-yl)sulfamoyl]amino]-1,3-thiazole
CID 61453559
N'-(2-amino-2-methoxyethyl)-N-[4-[5-(aminomethyl)furan-2-yl]-1,3-thiazol-2-yl]methanimidamide
CID 67768400
N-[[5-[2-[[N'-(cyclohexylmethyl)carbamimidoyl]amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
CID 10384861
N-[[5-[2-[[N'-[2-(2-methoxyethoxy)ethyl]carbamimidoyl]amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
CID 54534077
N-[4-[5-(aminomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-methylpropane-2-sulfonamide
CID 63689366
N-[[5-[2-[[N'-(naphthalen-1-ylmethyl)carbamimidoyl]amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
CID 54367460
N-[[5-[2-[[N'-[3-(furan-2-yl)propyl]carbamimidoyl]amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
CID 10762802
(2S)-N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-amino-4-methylpentanamide
CID 119696379

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(aminomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(2-methylpropyl)guanidine?
The IUPAC name of 1-[4-[5-(aminomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(2-methylpropyl)guanidine (CID 57177289) is 1-[4-[5-(aminomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(2-methylpropyl)guanidine.
What is the SMILES notation for 1-[4-[5-(aminomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(2-methylpropyl)guanidine?
The canonical SMILES for 1-[4-[5-(aminomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(2-methylpropyl)guanidine is CC(C)C/N=C(\N)Nc1nc(-c2ccc(CN)o2)cs1.
What is the InChIKey of 1-[4-[5-(aminomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(2-methylpropyl)guanidine?
The InChIKey is OQDLFDRIJQSBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5OS/c1-8(2)6-16-12(15)18-13-17-10(7-20-13)11-4-3-9(5-14)19-11/h3-4,7-8H,5-6,14H2,1-2H3,(H3,15,16,17,18).
What are the key properties of 1-[4-[5-(aminomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(2-methylpropyl)guanidine?
1-[4-[5-(aminomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(2-methylpropyl)guanidine has a molecular weight of 293.40 g/mol, XLogP of 2.24, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(aminomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(2-methylpropyl)guanidine is sourced from PubChem (CID 57177289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).