2-[4-[5-[(dimethylsulfamoylamino)methyl]furan-2-yl]-1,3-thiazol-2-yl]guanidine

C11H16N6O3S2 — CID 15704152

IUPAC2-[4-[5-[(dimethylsulfamoylamino)methyl]furan-2-yl]-1,3-thiazol-2-yl]guanidine
SMILESCN(C)S(=O)(=O)NCc1ccc(-c2csc(N=C(N)N)n2)o1
InChIInChI=1S/C11H16N6O3S2/c1-17(2)22(18,19)14-5-7-3-4-9(20-7)8-6-21-11(15-8)16-10(12)13/h3-4,6,14H,5H2,1-2H3,(H4,12,13,15,16)
InChIKeyXPJBSAJMFYKYPN-UHFFFAOYSA-N
MW344.42 g/mol
LogP0.20
Rot. Bonds6

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

2-[4-[5-[(dimethylsulfamoylamino)methyl]furan-2-yl]-1,3-thiazol-2-yl]guanidine (PubChem CID 15704152) has the molecular formula C11H16N6O3S2 and a molecular weight of 344.42 g/mol. Its IUPAC name is 2-[4-[5-[(dimethylsulfamoylamino)methyl]furan-2-yl]-1,3-thiazol-2-yl]guanidine.

Molecular Properties

Compound Name2-[4-[5-[(dimethylsulfamoylamino)methyl]furan-2-yl]-1,3-thiazol-2-yl]guanidine
PubChem CID15704152
Molecular FormulaC11H16N6O3S2
Molecular Weight344.42 g/mol
Exact Mass344.07
IUPAC Name2-[4-[5-[(dimethylsulfamoylamino)methyl]furan-2-yl]-1,3-thiazol-2-yl]guanidine
SMILESCN(C)S(=O)(=O)NCc1ccc(-c2csc(N=C(N)N)n2)o1
InChIInChI=1S/C11H16N6O3S2/c1-17(2)22(18,19)14-5-7-3-4-9(20-7)8-6-21-11(15-8)16-10(12)13/h3-4,6,14H,5H2,1-2H3,(H4,12,13,15,16)
InChIKeyXPJBSAJMFYKYPN-UHFFFAOYSA-N
XLogP0.20
TPSA139.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 50.20
H-Bond Donors ≤ 53
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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Related Compounds

2-[4-[5-(2-hydrazinyl-2-oxoethyl)furan-2-yl]-1,3-thiazol-2-yl]guanidine
CID 10423776
2-[4-[5-[2-amino-2-(methylamino)-2-(sulfonylamino)ethyl]furan-2-yl]-1,3-thiazol-2-yl]guanidine
CID 174347287
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
5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-N-hexyl-N-methylfuran-2-carboxamide
CID 15615547
N-[[5-[2-[[amino-(4-methoxyanilino)methylidene]amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
CID 67808925
4-[5-(aminomethyl)furan-2-yl]-2-[[methyl(propan-2-yl)sulfamoyl]amino]-1,3-thiazole
CID 61453559
N-[[4-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide
CID 10661107
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
1-[[4-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]methyl]-2-methyl-3-methylsulfonylguanidine
CID 18953912
[6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-2-pyridinyl]methylurea;dihydrochloride
CID 18953932

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-[(dimethylsulfamoylamino)methyl]furan-2-yl]-1,3-thiazol-2-yl]guanidine?
The IUPAC name of 2-[4-[5-[(dimethylsulfamoylamino)methyl]furan-2-yl]-1,3-thiazol-2-yl]guanidine (CID 15704152) is 2-[4-[5-[(dimethylsulfamoylamino)methyl]furan-2-yl]-1,3-thiazol-2-yl]guanidine.
What is the SMILES notation for 2-[4-[5-[(dimethylsulfamoylamino)methyl]furan-2-yl]-1,3-thiazol-2-yl]guanidine?
The canonical SMILES for 2-[4-[5-[(dimethylsulfamoylamino)methyl]furan-2-yl]-1,3-thiazol-2-yl]guanidine is CN(C)S(=O)(=O)NCc1ccc(-c2csc(N=C(N)N)n2)o1.
What is the InChIKey of 2-[4-[5-[(dimethylsulfamoylamino)methyl]furan-2-yl]-1,3-thiazol-2-yl]guanidine?
The InChIKey is XPJBSAJMFYKYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O3S2/c1-17(2)22(18,19)14-5-7-3-4-9(20-7)8-6-21-11(15-8)16-10(12)13/h3-4,6,14H,5H2,1-2H3,(H4,12,13,15,16).
What are the key properties of 2-[4-[5-[(dimethylsulfamoylamino)methyl]furan-2-yl]-1,3-thiazol-2-yl]guanidine?
2-[4-[5-[(dimethylsulfamoylamino)methyl]furan-2-yl]-1,3-thiazol-2-yl]guanidine has a molecular weight of 344.42 g/mol, XLogP of 0.20, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-[(dimethylsulfamoylamino)methyl]furan-2-yl]-1,3-thiazol-2-yl]guanidine is sourced from PubChem (CID 15704152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).