N'-cyano-5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]pentanimidamide

C10H15N7S — CID 12805998

IUPACN'-cyano-5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]pentanimidamide
SMILESN#C/N=C(\N)CCCCc1csc(N=C(N)N)n1
InChIInChI=1S/C10H15N7S/c11-6-15-8(12)4-2-1-3-7-5-18-10(16-7)17-9(13)14/h5H,1-4H2,(H2,12,15)(H4,13,14,16,17)
InChIKeyOTONQHQAXUYNSI-UHFFFAOYSA-N
MW265.35 g/mol
LogP0.60
Rot. Bonds6

About N'-cyano-5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]pentanimidamide

N'-cyano-5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]pentanimidamide (PubChem CID 12805998) has the molecular formula C10H15N7S and a molecular weight of 265.35 g/mol. Its IUPAC name is N'-cyano-5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]pentanimidamide.

Molecular Properties

Compound NameN'-cyano-5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]pentanimidamide
PubChem CID12805998
Molecular FormulaC10H15N7S
Molecular Weight265.35 g/mol
Exact Mass265.11
IUPAC NameN'-cyano-5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]pentanimidamide
SMILESN#C/N=C(\N)CCCCc1csc(N=C(N)N)n1
InChIInChI=1S/C10H15N7S/c11-6-15-8(12)4-2-1-3-7-5-18-10(16-7)17-9(13)14/h5H,1-4H2,(H2,12,15)(H4,13,14,16,17)
InChIKeyOTONQHQAXUYNSI-UHFFFAOYSA-N
XLogP0.60
TPSA139.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'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 N'-cyano-5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]pentanimidamide?
The IUPAC name of N'-cyano-5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]pentanimidamide (CID 12805998) is N'-cyano-5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]pentanimidamide.
What is the SMILES notation for N'-cyano-5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]pentanimidamide?
The canonical SMILES for N'-cyano-5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]pentanimidamide is N#C/N=C(\N)CCCCc1csc(N=C(N)N)n1.
What is the InChIKey of N'-cyano-5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]pentanimidamide?
The InChIKey is OTONQHQAXUYNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N7S/c11-6-15-8(12)4-2-1-3-7-5-18-10(16-7)17-9(13)14/h5H,1-4H2,(H2,12,15)(H4,13,14,16,17).
What are the key properties of N'-cyano-5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]pentanimidamide?
N'-cyano-5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]pentanimidamide has a molecular weight of 265.35 g/mol, XLogP of 0.60, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyano-5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]pentanimidamide is sourced from PubChem (CID 12805998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).