2-[4-[5-(2-hydrazinyl-2-oxoethyl)furan-2-yl]-1,3-thiazol-2-yl]guanidine

C10H12N6O2S — CID 10423776

IUPAC2-[4-[5-(2-hydrazinyl-2-oxoethyl)furan-2-yl]-1,3-thiazol-2-yl]guanidine
SMILESNNC(=O)Cc1ccc(-c2csc(N=C(N)N)n2)o1
InChIInChI=1S/C10H12N6O2S/c11-9(12)15-10-14-6(4-19-10)7-2-1-5(18-7)3-8(17)16-13/h1-2,4H,3,13H2,(H,16,17)(H4,11,12,14,15)
InChIKeyGIRDKAAWJNDUCJ-UHFFFAOYSA-N
MW280.31 g/mol
LogP-0.16
Rot. Bonds4

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

2-[4-[5-(2-hydrazinyl-2-oxoethyl)furan-2-yl]-1,3-thiazol-2-yl]guanidine (PubChem CID 10423776) has the molecular formula C10H12N6O2S and a molecular weight of 280.31 g/mol. Its IUPAC name is 2-[4-[5-(2-hydrazinyl-2-oxoethyl)furan-2-yl]-1,3-thiazol-2-yl]guanidine.

Molecular Properties

Compound Name2-[4-[5-(2-hydrazinyl-2-oxoethyl)furan-2-yl]-1,3-thiazol-2-yl]guanidine
PubChem CID10423776
Molecular FormulaC10H12N6O2S
Molecular Weight280.31 g/mol
Exact Mass280.07
IUPAC Name2-[4-[5-(2-hydrazinyl-2-oxoethyl)furan-2-yl]-1,3-thiazol-2-yl]guanidine
SMILESNNC(=O)Cc1ccc(-c2csc(N=C(N)N)n2)o1
InChIInChI=1S/C10H12N6O2S/c11-9(12)15-10-14-6(4-19-10)7-2-1-5(18-7)3-8(17)16-13/h1-2,4H,3,13H2,(H,16,17)(H4,11,12,14,15)
InChIKeyGIRDKAAWJNDUCJ-UHFFFAOYSA-N
XLogP-0.16
TPSA145.55 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 5-0.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[4-[5-[2-amino-2-(methylamino)-2-(sulfonylamino)ethyl]furan-2-yl]-1,3-thiazol-2-yl]guanidine
CID 174347287
2-[4-[5-[(dimethylsulfamoylamino)methyl]furan-2-yl]-1,3-thiazol-2-yl]guanidine
CID 15704152
methyl N'-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]carbamimidothioate;hydroiodide
CID 67807358
methyl N'-[[5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]furan-2-yl]methyl]-N-(4-methylphenyl)sulfonylcarbamimidothioate
CID 10322215
2-[4-[5-[amino-(3-amino-1H-1,2,4-triazol-5-yl)methyl]furan-2-yl]-1,3-thiazol-2-yl]guanidine
CID 67819798
5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-N-hexyl-N-methylfuran-2-carboxamide
CID 15615547
2-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]guanidine
CID 24938739
2-[4-(furan-2-yl)-1,3-thiazol-2-yl]guanidine
CID 13387169
N-[[5-[2-[[amino-(4-methoxyanilino)methylidene]amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
CID 67808925
N-[[4-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide
CID 10661107
[6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-2-pyridinyl]methylurea;dihydrochloride
CID 18953932
N-[[6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-2-pyridinyl]methyl]-2,2,2-trifluoroacetamide
CID 10382866

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-(2-hydrazinyl-2-oxoethyl)furan-2-yl]-1,3-thiazol-2-yl]guanidine?
The IUPAC name of 2-[4-[5-(2-hydrazinyl-2-oxoethyl)furan-2-yl]-1,3-thiazol-2-yl]guanidine (CID 10423776) is 2-[4-[5-(2-hydrazinyl-2-oxoethyl)furan-2-yl]-1,3-thiazol-2-yl]guanidine.
What is the SMILES notation for 2-[4-[5-(2-hydrazinyl-2-oxoethyl)furan-2-yl]-1,3-thiazol-2-yl]guanidine?
The canonical SMILES for 2-[4-[5-(2-hydrazinyl-2-oxoethyl)furan-2-yl]-1,3-thiazol-2-yl]guanidine is NNC(=O)Cc1ccc(-c2csc(N=C(N)N)n2)o1.
What is the InChIKey of 2-[4-[5-(2-hydrazinyl-2-oxoethyl)furan-2-yl]-1,3-thiazol-2-yl]guanidine?
The InChIKey is GIRDKAAWJNDUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O2S/c11-9(12)15-10-14-6(4-19-10)7-2-1-5(18-7)3-8(17)16-13/h1-2,4H,3,13H2,(H,16,17)(H4,11,12,14,15).
What are the key properties of 2-[4-[5-(2-hydrazinyl-2-oxoethyl)furan-2-yl]-1,3-thiazol-2-yl]guanidine?
2-[4-[5-(2-hydrazinyl-2-oxoethyl)furan-2-yl]-1,3-thiazol-2-yl]guanidine has a molecular weight of 280.31 g/mol, XLogP of -0.16, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-(2-hydrazinyl-2-oxoethyl)furan-2-yl]-1,3-thiazol-2-yl]guanidine is sourced from PubChem (CID 10423776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).