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

C12H14N6OS — CID 10446940

IUPACN-[[6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-2-pyridinyl]methyl]acetamide
SMILESCC(=O)NCc1cccc(-c2csc(N=C(N)N)n2)n1
InChIInChI=1S/C12H14N6OS/c1-7(19)15-5-8-3-2-4-9(16-8)10-6-20-12(17-10)18-11(13)14/h2-4,6H,5H2,1H3,(H,15,19)(H4,13,14,17,18)
InChIKeyAOCMLOWDFAEKJE-UHFFFAOYSA-N
MW290.35 g/mol
LogP0.75
Rot. Bonds4

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

N-[[6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-2-pyridinyl]methyl]acetamide (PubChem CID 10446940) has the molecular formula C12H14N6OS and a molecular weight of 290.35 g/mol. Its IUPAC name is N-[[6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-2-pyridinyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-2-pyridinyl]methyl]acetamide
PubChem CID10446940
Molecular FormulaC12H14N6OS
Molecular Weight290.35 g/mol
Exact Mass290.09
IUPAC NameN-[[6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-2-pyridinyl]methyl]acetamide
SMILESCC(=O)NCc1cccc(-c2csc(N=C(N)N)n2)n1
InChIInChI=1S/C12H14N6OS/c1-7(19)15-5-8-3-2-4-9(16-8)10-6-20-12(17-10)18-11(13)14/h2-4,6H,5H2,1H3,(H,15,19)(H4,13,14,17,18)
InChIKeyAOCMLOWDFAEKJE-UHFFFAOYSA-N
XLogP0.75
TPSA119.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 50.75
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]methyl]acetamide?
The IUPAC name of N-[[6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-2-pyridinyl]methyl]acetamide (CID 10446940) is N-[[6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-2-pyridinyl]methyl]acetamide.
What is the SMILES notation for N-[[6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-2-pyridinyl]methyl]acetamide?
The canonical SMILES for N-[[6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-2-pyridinyl]methyl]acetamide is CC(=O)NCc1cccc(-c2csc(N=C(N)N)n2)n1.
What is the InChIKey of N-[[6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-2-pyridinyl]methyl]acetamide?
The InChIKey is AOCMLOWDFAEKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6OS/c1-7(19)15-5-8-3-2-4-9(16-8)10-6-20-12(17-10)18-11(13)14/h2-4,6H,5H2,1H3,(H,15,19)(H4,13,14,17,18).
What are the key properties of N-[[6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-2-pyridinyl]methyl]acetamide?
N-[[6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-2-pyridinyl]methyl]acetamide has a molecular weight of 290.35 g/mol, XLogP of 0.75, 4 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]methyl]acetamide is sourced from PubChem (CID 10446940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).