N-[6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-2-pyridinyl]acetamide;hydrochloride

C11H13ClN6OS — CID 45262727

IUPACN-[6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-2-pyridinyl]acetamide;hydrochloride
SMILESCC(=O)Nc1cccc(-c2csc(N=C(N)N)n2)n1.Cl
InChIInChI=1S/C11H12N6OS.ClH/c1-6(18)14-9-4-2-3-7(15-9)8-5-19-11(16-8)17-10(12)13;/h2-5H,1H3,(H,14,15,18)(H4,12,13,16,17);1H
InChIKeyDJZZIXUOSQDXJB-UHFFFAOYSA-N
MW312.79 g/mol
LogP1.49
Rot. Bonds3

About N-[6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-2-pyridinyl]acetamide;hydrochloride

N-[6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-2-pyridinyl]acetamide;hydrochloride (PubChem CID 45262727) has the molecular formula C11H13ClN6OS and a molecular weight of 312.79 g/mol. Its IUPAC name is N-[6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-2-pyridinyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-2-pyridinyl]acetamide;hydrochloride
PubChem CID45262727
Molecular FormulaC11H13ClN6OS
Molecular Weight312.79 g/mol
Exact Mass312.06
IUPAC NameN-[6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-2-pyridinyl]acetamide;hydrochloride
SMILESCC(=O)Nc1cccc(-c2csc(N=C(N)N)n2)n1.Cl
InChIInChI=1S/C11H12N6OS.ClH/c1-6(18)14-9-4-2-3-7(15-9)8-5-19-11(16-8)17-10(12)13;/h2-5H,1H3,(H,14,15,18)(H4,12,13,16,17);1H
InChIKeyDJZZIXUOSQDXJB-UHFFFAOYSA-N
XLogP1.49
TPSA119.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.79
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 N-[6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-2-pyridinyl]acetamide;hydrochloride?
The IUPAC name of N-[6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-2-pyridinyl]acetamide;hydrochloride (CID 45262727) is N-[6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-2-pyridinyl]acetamide;hydrochloride.
What is the SMILES notation for N-[6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-2-pyridinyl]acetamide;hydrochloride?
The canonical SMILES for N-[6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-2-pyridinyl]acetamide;hydrochloride is CC(=O)Nc1cccc(-c2csc(N=C(N)N)n2)n1.Cl.
What is the InChIKey of N-[6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-2-pyridinyl]acetamide;hydrochloride?
The InChIKey is DJZZIXUOSQDXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6OS.ClH/c1-6(18)14-9-4-2-3-7(15-9)8-5-19-11(16-8)17-10(12)13;/h2-5H,1H3,(H,14,15,18)(H4,12,13,16,17);1H.
What are the key properties of N-[6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-2-pyridinyl]acetamide;hydrochloride?
N-[6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-2-pyridinyl]acetamide;hydrochloride has a molecular weight of 312.79 g/mol, XLogP of 1.49, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-2-pyridinyl]acetamide;hydrochloride is sourced from PubChem (CID 45262727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).