methyl 5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]pentanimidate

C10H17N5OS — CID 12805994

IUPACmethyl 5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]pentanimidate
SMILES[H]/N=C(/CCCCc1csc(N=C(N)N)n1)OC
InChIInChI=1S/C10H17N5OS/c1-16-8(11)5-3-2-4-7-6-17-10(14-7)15-9(12)13/h6,11H,2-5H2,1H3,(H4,12,13,14,15)/b11-8-
InChIKeyHBAPPYPITGPMPF-FLIBITNWSA-N
MW255.35 g/mol
LogP1.38
Rot. Bonds6

About methyl 5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]pentanimidate

methyl 5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]pentanimidate (PubChem CID 12805994) has the molecular formula C10H17N5OS and a molecular weight of 255.35 g/mol. Its IUPAC name is methyl 5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]pentanimidate.

Molecular Properties

Compound Namemethyl 5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]pentanimidate
PubChem CID12805994
Molecular FormulaC10H17N5OS
Molecular Weight255.35 g/mol
Exact Mass255.12
IUPAC Namemethyl 5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]pentanimidate
SMILES[H]/N=C(/CCCCc1csc(N=C(N)N)n1)OC
InChIInChI=1S/C10H17N5OS/c1-16-8(11)5-3-2-4-7-6-17-10(14-7)15-9(12)13/h6,11H,2-5H2,1H3,(H4,12,13,14,15)/b11-8-
InChIKeyHBAPPYPITGPMPF-FLIBITNWSA-N
XLogP1.38
TPSA110.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 methyl 5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]pentanimidate?
The IUPAC name of methyl 5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]pentanimidate (CID 12805994) is methyl 5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]pentanimidate.
What is the SMILES notation for methyl 5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]pentanimidate?
The canonical SMILES for methyl 5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]pentanimidate is [H]/N=C(/CCCCc1csc(N=C(N)N)n1)OC.
What is the InChIKey of methyl 5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]pentanimidate?
The InChIKey is HBAPPYPITGPMPF-FLIBITNWSA-N. The full InChI is InChI=1S/C10H17N5OS/c1-16-8(11)5-3-2-4-7-6-17-10(14-7)15-9(12)13/h6,11H,2-5H2,1H3,(H4,12,13,14,15)/b11-8-.
What are the key properties of methyl 5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]pentanimidate?
methyl 5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]pentanimidate has a molecular weight of 255.35 g/mol, XLogP of 1.38, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]pentanimidate is sourced from PubChem (CID 12805994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).