N,N'-bis(1,3-thiazol-2-yl)methanediamine

C7H8N4S2 — CID 16743616

IUPACN,N'-bis(1,3-thiazol-2-yl)methanediamine
SMILESc1csc(NCNc2nccs2)n1
InChIInChI=1S/C7H8N4S2/c1-3-12-6(8-1)10-5-11-7-9-2-4-13-7/h1-4H,5H2,(H,8,10)(H,9,11)
InChIKeyJTQZNCFRTGWOSX-UHFFFAOYSA-N
MW212.30 g/mol
LogP2.08
Rot. Bonds4

About N,N'-bis(1,3-thiazol-2-yl)methanediamine

N,N'-bis(1,3-thiazol-2-yl)methanediamine (PubChem CID 16743616) has the molecular formula C7H8N4S2 and a molecular weight of 212.30 g/mol. Its IUPAC name is N,N'-bis(1,3-thiazol-2-yl)methanediamine.

Molecular Properties

Compound NameN,N'-bis(1,3-thiazol-2-yl)methanediamine
PubChem CID16743616
Molecular FormulaC7H8N4S2
Molecular Weight212.30 g/mol
Exact Mass212.02
IUPAC NameN,N'-bis(1,3-thiazol-2-yl)methanediamine
SMILESc1csc(NCNc2nccs2)n1
InChIInChI=1S/C7H8N4S2/c1-3-12-6(8-1)10-5-11-7-9-2-4-13-7/h1-4H,5H2,(H,8,10)(H,9,11)
InChIKeyJTQZNCFRTGWOSX-UHFFFAOYSA-N
XLogP2.08
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis(1,3-thiazol-2-yl)methanediamine?
The IUPAC name of N,N'-bis(1,3-thiazol-2-yl)methanediamine (CID 16743616) is N,N'-bis(1,3-thiazol-2-yl)methanediamine.
What is the SMILES notation for N,N'-bis(1,3-thiazol-2-yl)methanediamine?
The canonical SMILES for N,N'-bis(1,3-thiazol-2-yl)methanediamine is c1csc(NCNc2nccs2)n1.
What is the InChIKey of N,N'-bis(1,3-thiazol-2-yl)methanediamine?
The InChIKey is JTQZNCFRTGWOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4S2/c1-3-12-6(8-1)10-5-11-7-9-2-4-13-7/h1-4H,5H2,(H,8,10)(H,9,11).
What are the key properties of N,N'-bis(1,3-thiazol-2-yl)methanediamine?
N,N'-bis(1,3-thiazol-2-yl)methanediamine has a molecular weight of 212.30 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(1,3-thiazol-2-yl)methanediamine is sourced from PubChem (CID 16743616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).