2-[4-[5-[2-amino-2-(methylamino)-2-(sulfonylamino)ethyl]furan-2-yl]-1,3-thiazol-2-yl]guanidine

C11H15N7O3S2 — CID 174347287

IUPAC2-[4-[5-[2-amino-2-(methylamino)-2-(sulfonylamino)ethyl]furan-2-yl]-1,3-thiazol-2-yl]guanidine
SMILESCNC(N)(Cc1ccc(-c2csc(N=C(N)N)n2)o1)N=S(=O)=O
InChIInChI=1S/C11H15N7O3S2/c1-15-11(14,18-23(19)20)4-6-2-3-8(21-6)7-5-22-10(16-7)17-9(12)13/h2-3,5,15H,4,14H2,1H3,(H4,12,13,16,17)
InChIKeyVHRUWEFHVSSSJS-UHFFFAOYSA-N
MW357.42 g/mol
LogP-0.25
Rot. Bonds6

About 2-[4-[5-[2-amino-2-(methylamino)-2-(sulfonylamino)ethyl]furan-2-yl]-1,3-thiazol-2-yl]guanidine

2-[4-[5-[2-amino-2-(methylamino)-2-(sulfonylamino)ethyl]furan-2-yl]-1,3-thiazol-2-yl]guanidine (PubChem CID 174347287) has the molecular formula C11H15N7O3S2 and a molecular weight of 357.42 g/mol. Its IUPAC name is 2-[4-[5-[2-amino-2-(methylamino)-2-(sulfonylamino)ethyl]furan-2-yl]-1,3-thiazol-2-yl]guanidine.

Molecular Properties

Compound Name2-[4-[5-[2-amino-2-(methylamino)-2-(sulfonylamino)ethyl]furan-2-yl]-1,3-thiazol-2-yl]guanidine
PubChem CID174347287
Molecular FormulaC11H15N7O3S2
Molecular Weight357.42 g/mol
Exact Mass357.07
IUPAC Name2-[4-[5-[2-amino-2-(methylamino)-2-(sulfonylamino)ethyl]furan-2-yl]-1,3-thiazol-2-yl]guanidine
SMILESCNC(N)(Cc1ccc(-c2csc(N=C(N)N)n2)o1)N=S(=O)=O
InChIInChI=1S/C11H15N7O3S2/c1-15-11(14,18-23(19)20)4-6-2-3-8(21-6)7-5-22-10(16-7)17-9(12)13/h2-3,5,15H,4,14H2,1H3,(H4,12,13,16,17)
InChIKeyVHRUWEFHVSSSJS-UHFFFAOYSA-N
XLogP-0.25
TPSA174.98 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 5-0.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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-[4-[5-(2-hydrazinyl-2-oxoethyl)furan-2-yl]-1,3-thiazol-2-yl]guanidine
CID 10423776
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-(4-tert-butylphenyl)-1,3-thiazol-2-yl]guanidine
CID 24938739
5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-N-hexyl-N-methylfuran-2-carboxamide
CID 15615547
N-[6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-2-pyridinyl]acetamide;hydrochloride
CID 45262727
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
N-[[6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-2-pyridinyl]methyl]-2,2,2-trifluoroacetamide
CID 10382866
2-[4-(furan-2-yl)-1,3-thiazol-2-yl]guanidine
CID 13387169
2-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]guanidine
CID 87544723

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-[2-amino-2-(methylamino)-2-(sulfonylamino)ethyl]furan-2-yl]-1,3-thiazol-2-yl]guanidine?
The IUPAC name of 2-[4-[5-[2-amino-2-(methylamino)-2-(sulfonylamino)ethyl]furan-2-yl]-1,3-thiazol-2-yl]guanidine (CID 174347287) is 2-[4-[5-[2-amino-2-(methylamino)-2-(sulfonylamino)ethyl]furan-2-yl]-1,3-thiazol-2-yl]guanidine.
What is the SMILES notation for 2-[4-[5-[2-amino-2-(methylamino)-2-(sulfonylamino)ethyl]furan-2-yl]-1,3-thiazol-2-yl]guanidine?
The canonical SMILES for 2-[4-[5-[2-amino-2-(methylamino)-2-(sulfonylamino)ethyl]furan-2-yl]-1,3-thiazol-2-yl]guanidine is CNC(N)(Cc1ccc(-c2csc(N=C(N)N)n2)o1)N=S(=O)=O.
What is the InChIKey of 2-[4-[5-[2-amino-2-(methylamino)-2-(sulfonylamino)ethyl]furan-2-yl]-1,3-thiazol-2-yl]guanidine?
The InChIKey is VHRUWEFHVSSSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N7O3S2/c1-15-11(14,18-23(19)20)4-6-2-3-8(21-6)7-5-22-10(16-7)17-9(12)13/h2-3,5,15H,4,14H2,1H3,(H4,12,13,16,17).
What are the key properties of 2-[4-[5-[2-amino-2-(methylamino)-2-(sulfonylamino)ethyl]furan-2-yl]-1,3-thiazol-2-yl]guanidine?
2-[4-[5-[2-amino-2-(methylamino)-2-(sulfonylamino)ethyl]furan-2-yl]-1,3-thiazol-2-yl]guanidine has a molecular weight of 357.42 g/mol, XLogP of -0.25, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-[2-amino-2-(methylamino)-2-(sulfonylamino)ethyl]furan-2-yl]-1,3-thiazol-2-yl]guanidine is sourced from PubChem (CID 174347287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).