[amino-[1-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]butan-2-yl-methylamino]methylidene]urea

C11H20N8OS — CID 57025012

IUPAC[amino-[1-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]butan-2-yl-methylamino]methylidene]urea
SMILESCCC(Cc1csc(N=C(N)N)n1)N(C)C(N)=NC(N)=O
InChIInChI=1S/C11H20N8OS/c1-3-7(19(2)9(14)18-10(15)20)4-6-5-21-11(16-6)17-8(12)13/h5,7H,3-4H2,1-2H3,(H4,12,13,16,17)(H4,14,15,18,20)
InChIKeyXDRZNIQLBQOIPY-UHFFFAOYSA-N
MW312.40 g/mol
LogP-0.31
Rot. Bonds5

About [amino-[1-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]butan-2-yl-methylamino]methylidene]urea

[amino-[1-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]butan-2-yl-methylamino]methylidene]urea (PubChem CID 57025012) has the molecular formula C11H20N8OS and a molecular weight of 312.40 g/mol. Its IUPAC name is [amino-[1-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]butan-2-yl-methylamino]methylidene]urea.

Molecular Properties

Compound Name[amino-[1-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]butan-2-yl-methylamino]methylidene]urea
PubChem CID57025012
Molecular FormulaC11H20N8OS
Molecular Weight312.40 g/mol
Exact Mass312.15
IUPAC Name[amino-[1-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]butan-2-yl-methylamino]methylidene]urea
SMILESCCC(Cc1csc(N=C(N)N)n1)N(C)C(N)=NC(N)=O
InChIInChI=1S/C11H20N8OS/c1-3-7(19(2)9(14)18-10(15)20)4-6-5-21-11(16-6)17-8(12)13/h5,7H,3-4H2,1-2H3,(H4,12,13,16,17)(H4,14,15,18,20)
InChIKeyXDRZNIQLBQOIPY-UHFFFAOYSA-N
XLogP-0.31
TPSA162.00 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 5-0.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [amino-[1-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]butan-2-yl-methylamino]methylidene]urea?
The IUPAC name of [amino-[1-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]butan-2-yl-methylamino]methylidene]urea (CID 57025012) is [amino-[1-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]butan-2-yl-methylamino]methylidene]urea.
What is the SMILES notation for [amino-[1-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]butan-2-yl-methylamino]methylidene]urea?
The canonical SMILES for [amino-[1-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]butan-2-yl-methylamino]methylidene]urea is CCC(Cc1csc(N=C(N)N)n1)N(C)C(N)=NC(N)=O.
What is the InChIKey of [amino-[1-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]butan-2-yl-methylamino]methylidene]urea?
The InChIKey is XDRZNIQLBQOIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N8OS/c1-3-7(19(2)9(14)18-10(15)20)4-6-5-21-11(16-6)17-8(12)13/h5,7H,3-4H2,1-2H3,(H4,12,13,16,17)(H4,14,15,18,20).
What are the key properties of [amino-[1-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]butan-2-yl-methylamino]methylidene]urea?
[amino-[1-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]butan-2-yl-methylamino]methylidene]urea has a molecular weight of 312.40 g/mol, XLogP of -0.31, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [amino-[1-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]butan-2-yl-methylamino]methylidene]urea is sourced from PubChem (CID 57025012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).