N-[[4-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]methyl]-2-hydroxyacetamide

C10H12N6O2S2 — CID 18953776

IUPACN-[[4-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]methyl]-2-hydroxyacetamide
SMILESNC(N)=Nc1nc(-c2csc(CNC(=O)CO)n2)cs1
InChIInChI=1S/C10H12N6O2S2/c11-9(12)16-10-15-6(4-20-10)5-3-19-8(14-5)1-13-7(18)2-17/h3-4,17H,1-2H2,(H,13,18)(H4,11,12,15,16)
InChIKeyKNYTVZMKIUWEJD-UHFFFAOYSA-N
MW312.38 g/mol
LogP-0.22
Rot. Bonds5

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

N-[[4-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]methyl]-2-hydroxyacetamide (PubChem CID 18953776) has the molecular formula C10H12N6O2S2 and a molecular weight of 312.38 g/mol. Its IUPAC name is N-[[4-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]methyl]-2-hydroxyacetamide.

Molecular Properties

Compound NameN-[[4-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]methyl]-2-hydroxyacetamide
PubChem CID18953776
Molecular FormulaC10H12N6O2S2
Molecular Weight312.38 g/mol
Exact Mass312.05
IUPAC NameN-[[4-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]methyl]-2-hydroxyacetamide
SMILESNC(N)=Nc1nc(-c2csc(CNC(=O)CO)n2)cs1
InChIInChI=1S/C10H12N6O2S2/c11-9(12)16-10-15-6(4-20-10)5-3-19-8(14-5)1-13-7(18)2-17/h3-4,17H,1-2H2,(H,13,18)(H4,11,12,15,16)
InChIKeyKNYTVZMKIUWEJD-UHFFFAOYSA-N
XLogP-0.22
TPSA139.51 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 5-0.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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-[[4-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]methyl]-2-hydroxyacetamide?
The IUPAC name of N-[[4-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]methyl]-2-hydroxyacetamide (CID 18953776) is N-[[4-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]methyl]-2-hydroxyacetamide.
What is the SMILES notation for N-[[4-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]methyl]-2-hydroxyacetamide?
The canonical SMILES for N-[[4-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]methyl]-2-hydroxyacetamide is NC(N)=Nc1nc(-c2csc(CNC(=O)CO)n2)cs1.
What is the InChIKey of N-[[4-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]methyl]-2-hydroxyacetamide?
The InChIKey is KNYTVZMKIUWEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O2S2/c11-9(12)16-10-15-6(4-20-10)5-3-19-8(14-5)1-13-7(18)2-17/h3-4,17H,1-2H2,(H,13,18)(H4,11,12,15,16).
What are the key properties of N-[[4-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]methyl]-2-hydroxyacetamide?
N-[[4-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]methyl]-2-hydroxyacetamide has a molecular weight of 312.38 g/mol, XLogP of -0.22, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]methyl]-2-hydroxyacetamide is sourced from PubChem (CID 18953776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).