4-amino-3-[[2-amino-5-(N'-propan-2-ylcarbamimidoyl)phenyl]disulfanyl]-N'-propan-2-ylbenzenecarboximidamide

C20H28N6S2 — CID 102026983

IUPAC4-amino-3-[[2-amino-5-(N'-propan-2-ylcarbamimidoyl)phenyl]disulfanyl]-N'-propan-2-ylbenzenecarboximidamide
SMILESCC(C)/N=C(\N)c1ccc(N)c(SSc2cc(/C(N)=N/C(C)C)ccc2N)c1
InChIInChI=1S/C20H28N6S2/c1-11(2)25-19(23)13-5-7-15(21)17(9-13)27-28-18-10-14(6-8-16(18)22)20(24)26-12(3)4/h5-12H,21-22H2,1-4H3,(H2,23,25)(H2,24,26)
InChIKeyGBOUNTYXOJFGKH-UHFFFAOYSA-N
MW416.62 g/mol
LogP3.88
Rot. Bonds7

About 4-amino-3-[[2-amino-5-(N'-propan-2-ylcarbamimidoyl)phenyl]disulfanyl]-N'-propan-2-ylbenzenecarboximidamide

4-amino-3-[[2-amino-5-(N'-propan-2-ylcarbamimidoyl)phenyl]disulfanyl]-N'-propan-2-ylbenzenecarboximidamide (PubChem CID 102026983) has the molecular formula C20H28N6S2 and a molecular weight of 416.62 g/mol. Its IUPAC name is 4-amino-3-[[2-amino-5-(N'-propan-2-ylcarbamimidoyl)phenyl]disulfanyl]-N'-propan-2-ylbenzenecarboximidamide.

Molecular Properties

Compound Name4-amino-3-[[2-amino-5-(N'-propan-2-ylcarbamimidoyl)phenyl]disulfanyl]-N'-propan-2-ylbenzenecarboximidamide
PubChem CID102026983
Molecular FormulaC20H28N6S2
Molecular Weight416.62 g/mol
Exact Mass416.18
IUPAC Name4-amino-3-[[2-amino-5-(N'-propan-2-ylcarbamimidoyl)phenyl]disulfanyl]-N'-propan-2-ylbenzenecarboximidamide
SMILESCC(C)/N=C(\N)c1ccc(N)c(SSc2cc(/C(N)=N/C(C)C)ccc2N)c1
InChIInChI=1S/C20H28N6S2/c1-11(2)25-19(23)13-5-7-15(21)17(9-13)27-28-18-10-14(6-8-16(18)22)20(24)26-12(3)4/h5-12H,21-22H2,1-4H3,(H2,23,25)(H2,24,26)
InChIKeyGBOUNTYXOJFGKH-UHFFFAOYSA-N
XLogP3.88
TPSA128.80 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.62
LogP ≤ 53.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-amino-3-[[2-amino-5-(N'-propan-2-ylcarbamimidoyl)phenyl]disulfanyl]-N'-propan-2-ylbenzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-3-[(2-amino-5-carbamimidoylphenyl)disulfanyl]benzenecarboximidamide
CID 102026982
3-bromo-N'-propan-2-ylbenzenecarboximidamide
CID 62049372
4-methoxy-N'-propan-2-ylbenzenecarboximidamide
CID 62048818
3,5-dichloro-N'-propan-2-ylbenzenecarboximidamide
CID 107918188
3-amino-4-(naphthalen-1-ylmethylamino)-N'-propan-2-ylbenzenecarboximidamide
CID 11494400
N'-propan-2-yl-4-[4-[4-(N'-propan-2-ylcarbamimidoyl)phenyl]furan-2-yl]benzenecarboximidamide;dihydrochloride
CID 45260713
N'-propan-2-yl-3-[4-[3-(N'-propan-2-ylcarbamimidoyl)phenoxy]butoxy]benzenecarboximidamide;dihydrochloride
CID 90664305
5-phenyl-N'-propan-2-ylfuran-3-carboximidamide
CID 57264324
4-(furan-2-yl)-N'-propan-2-ylbenzenecarboximidamide;dihydrochloride
CID 23083525
2-[2-[6-(N'-propan-2-ylcarbamimidoyl)-1-benzofuran-2-yl]ethyl]-1-benzofuran-6-carboximidamide;dihydrochloride
CID 69285026
4-amino-3-tert-butylsulfanylbenzamide
CID 63356717
1-(4-amino-3-methylsulfanylphenyl)ethanone
CID 116998547

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[[2-amino-5-(N'-propan-2-ylcarbamimidoyl)phenyl]disulfanyl]-N'-propan-2-ylbenzenecarboximidamide?
The IUPAC name of 4-amino-3-[[2-amino-5-(N'-propan-2-ylcarbamimidoyl)phenyl]disulfanyl]-N'-propan-2-ylbenzenecarboximidamide (CID 102026983) is 4-amino-3-[[2-amino-5-(N'-propan-2-ylcarbamimidoyl)phenyl]disulfanyl]-N'-propan-2-ylbenzenecarboximidamide.
What is the SMILES notation for 4-amino-3-[[2-amino-5-(N'-propan-2-ylcarbamimidoyl)phenyl]disulfanyl]-N'-propan-2-ylbenzenecarboximidamide?
The canonical SMILES for 4-amino-3-[[2-amino-5-(N'-propan-2-ylcarbamimidoyl)phenyl]disulfanyl]-N'-propan-2-ylbenzenecarboximidamide is CC(C)/N=C(\N)c1ccc(N)c(SSc2cc(/C(N)=N/C(C)C)ccc2N)c1.
What is the InChIKey of 4-amino-3-[[2-amino-5-(N'-propan-2-ylcarbamimidoyl)phenyl]disulfanyl]-N'-propan-2-ylbenzenecarboximidamide?
The InChIKey is GBOUNTYXOJFGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6S2/c1-11(2)25-19(23)13-5-7-15(21)17(9-13)27-28-18-10-14(6-8-16(18)22)20(24)26-12(3)4/h5-12H,21-22H2,1-4H3,(H2,23,25)(H2,24,26).
What are the key properties of 4-amino-3-[[2-amino-5-(N'-propan-2-ylcarbamimidoyl)phenyl]disulfanyl]-N'-propan-2-ylbenzenecarboximidamide?
4-amino-3-[[2-amino-5-(N'-propan-2-ylcarbamimidoyl)phenyl]disulfanyl]-N'-propan-2-ylbenzenecarboximidamide has a molecular weight of 416.62 g/mol, XLogP of 3.88, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[[2-amino-5-(N'-propan-2-ylcarbamimidoyl)phenyl]disulfanyl]-N'-propan-2-ylbenzenecarboximidamide is sourced from PubChem (CID 102026983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).