N-[[5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-3-pyridinyl]methyl]acetamide

C12H14N6OS — CID 10039856

IUPACN-[[5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-3-pyridinyl]methyl]acetamide
SMILESCC(=O)NCc1cncc(-c2csc(N=C(N)N)n2)c1
InChIInChI=1S/C12H14N6OS/c1-7(19)16-4-8-2-9(5-15-3-8)10-6-20-12(17-10)18-11(13)14/h2-3,5-6H,4H2,1H3,(H,16,19)(H4,13,14,17,18)
InChIKeyWEFSEIGVXSGPFJ-UHFFFAOYSA-N
MW290.35 g/mol
LogP0.75
Rot. Bonds4

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

N-[[5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-3-pyridinyl]methyl]acetamide (PubChem CID 10039856) has the molecular formula C12H14N6OS and a molecular weight of 290.35 g/mol. Its IUPAC name is N-[[5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-3-pyridinyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-3-pyridinyl]methyl]acetamide
PubChem CID10039856
Molecular FormulaC12H14N6OS
Molecular Weight290.35 g/mol
Exact Mass290.09
IUPAC NameN-[[5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-3-pyridinyl]methyl]acetamide
SMILESCC(=O)NCc1cncc(-c2csc(N=C(N)N)n2)c1
InChIInChI=1S/C12H14N6OS/c1-7(19)16-4-8-2-9(5-15-3-8)10-6-20-12(17-10)18-11(13)14/h2-3,5-6H,4H2,1H3,(H,16,19)(H4,13,14,17,18)
InChIKeyWEFSEIGVXSGPFJ-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'}

Analyze N-[[5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-3-pyridinyl]methyl]acetamide 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-[[5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-3-pyridinyl]methyl]acetamide?
The IUPAC name of N-[[5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-3-pyridinyl]methyl]acetamide (CID 10039856) is N-[[5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-3-pyridinyl]methyl]acetamide.
What is the SMILES notation for N-[[5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-3-pyridinyl]methyl]acetamide?
The canonical SMILES for N-[[5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-3-pyridinyl]methyl]acetamide is CC(=O)NCc1cncc(-c2csc(N=C(N)N)n2)c1.
What is the InChIKey of N-[[5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-3-pyridinyl]methyl]acetamide?
The InChIKey is WEFSEIGVXSGPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6OS/c1-7(19)16-4-8-2-9(5-15-3-8)10-6-20-12(17-10)18-11(13)14/h2-3,5-6H,4H2,1H3,(H,16,19)(H4,13,14,17,18).
What are the key properties of N-[[5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-3-pyridinyl]methyl]acetamide?
N-[[5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-3-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-[[5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-3-pyridinyl]methyl]acetamide is sourced from PubChem (CID 10039856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).