[N-[1-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]butan-2-yl]-N'-methylcarbamimidoyl]urea

C11H20N8OS — CID 23330845

IUPAC[N-[1-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]butan-2-yl]-N'-methylcarbamimidoyl]urea
SMILESCCC(Cc1csc(N=C(N)N)n1)N/C(=N/C)NC(N)=O
InChIInChI=1S/C11H20N8OS/c1-3-6(16-10(15-2)19-9(14)20)4-7-5-21-11(17-7)18-8(12)13/h5-6H,3-4H2,1-2H3,(H4,12,13,17,18)(H4,14,15,16,19,20)
InChIKeyOAURPWFNGFQBKF-UHFFFAOYSA-N
MW312.40 g/mol
LogP-0.39
Rot. Bonds5

About [N-[1-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]butan-2-yl]-N'-methylcarbamimidoyl]urea

[N-[1-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]butan-2-yl]-N'-methylcarbamimidoyl]urea (PubChem CID 23330845) has the molecular formula C11H20N8OS and a molecular weight of 312.40 g/mol. Its IUPAC name is [N-[1-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]butan-2-yl]-N'-methylcarbamimidoyl]urea.

Molecular Properties

Compound Name[N-[1-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]butan-2-yl]-N'-methylcarbamimidoyl]urea
PubChem CID23330845
Molecular FormulaC11H20N8OS
Molecular Weight312.40 g/mol
Exact Mass312.15
IUPAC Name[N-[1-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]butan-2-yl]-N'-methylcarbamimidoyl]urea
SMILESCCC(Cc1csc(N=C(N)N)n1)N/C(=N/C)NC(N)=O
InChIInChI=1S/C11H20N8OS/c1-3-6(16-10(15-2)19-9(14)20)4-7-5-21-11(17-7)18-8(12)13/h5-6H,3-4H2,1-2H3,(H4,12,13,17,18)(H4,14,15,16,19,20)
InChIKeyOAURPWFNGFQBKF-UHFFFAOYSA-N
XLogP-0.39
TPSA156.80 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 5-0.39
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [N-[1-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]butan-2-yl]-N'-methylcarbamimidoyl]urea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [N-[1-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]butan-2-yl]-N'-methylcarbamimidoyl]urea?
The IUPAC name of [N-[1-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]butan-2-yl]-N'-methylcarbamimidoyl]urea (CID 23330845) is [N-[1-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]butan-2-yl]-N'-methylcarbamimidoyl]urea.
What is the SMILES notation for [N-[1-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]butan-2-yl]-N'-methylcarbamimidoyl]urea?
The canonical SMILES for [N-[1-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]butan-2-yl]-N'-methylcarbamimidoyl]urea is CCC(Cc1csc(N=C(N)N)n1)N/C(=N/C)NC(N)=O.
What is the InChIKey of [N-[1-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]butan-2-yl]-N'-methylcarbamimidoyl]urea?
The InChIKey is OAURPWFNGFQBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N8OS/c1-3-6(16-10(15-2)19-9(14)20)4-7-5-21-11(17-7)18-8(12)13/h5-6H,3-4H2,1-2H3,(H4,12,13,17,18)(H4,14,15,16,19,20).
What are the key properties of [N-[1-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]butan-2-yl]-N'-methylcarbamimidoyl]urea?
[N-[1-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]butan-2-yl]-N'-methylcarbamimidoyl]urea has a molecular weight of 312.40 g/mol, XLogP of -0.39, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [N-[1-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]butan-2-yl]-N'-methylcarbamimidoyl]urea is sourced from PubChem (CID 23330845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).