2-N,2-N-dimethyl-6-(1,3-thiazol-2-ylsulfanylmethyl)-1,3,5-triazine-2,4-diamine

C9H12N6S2 — CID 47069795

IUPAC2-N,2-N-dimethyl-6-(1,3-thiazol-2-ylsulfanylmethyl)-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(N)nc(CSc2nccs2)n1
InChIInChI=1S/C9H12N6S2/c1-15(2)8-13-6(12-7(10)14-8)5-17-9-11-3-4-16-9/h3-4H,5H2,1-2H3,(H2,10,12,13,14)
InChIKeyFCPHWXFOOJDNBQ-UHFFFAOYSA-N
MW268.37 g/mol
LogP1.27
Rot. Bonds4

About 2-N,2-N-dimethyl-6-(1,3-thiazol-2-ylsulfanylmethyl)-1,3,5-triazine-2,4-diamine

2-N,2-N-dimethyl-6-(1,3-thiazol-2-ylsulfanylmethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 47069795) has the molecular formula C9H12N6S2 and a molecular weight of 268.37 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-6-(1,3-thiazol-2-ylsulfanylmethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-6-(1,3-thiazol-2-ylsulfanylmethyl)-1,3,5-triazine-2,4-diamine
PubChem CID47069795
Molecular FormulaC9H12N6S2
Molecular Weight268.37 g/mol
Exact Mass268.06
IUPAC Name2-N,2-N-dimethyl-6-(1,3-thiazol-2-ylsulfanylmethyl)-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(N)nc(CSc2nccs2)n1
InChIInChI=1S/C9H12N6S2/c1-15(2)8-13-6(12-7(10)14-8)5-17-9-11-3-4-16-9/h3-4H,5H2,1-2H3,(H2,10,12,13,14)
InChIKeyFCPHWXFOOJDNBQ-UHFFFAOYSA-N
XLogP1.27
TPSA80.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.37
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-6-(1,3-thiazol-2-ylsulfanylmethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,2-N-dimethyl-6-(1,3-thiazol-2-ylsulfanylmethyl)-1,3,5-triazine-2,4-diamine (CID 47069795) is 2-N,2-N-dimethyl-6-(1,3-thiazol-2-ylsulfanylmethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-6-(1,3-thiazol-2-ylsulfanylmethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-6-(1,3-thiazol-2-ylsulfanylmethyl)-1,3,5-triazine-2,4-diamine is CN(C)c1nc(N)nc(CSc2nccs2)n1.
What is the InChIKey of 2-N,2-N-dimethyl-6-(1,3-thiazol-2-ylsulfanylmethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is FCPHWXFOOJDNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6S2/c1-15(2)8-13-6(12-7(10)14-8)5-17-9-11-3-4-16-9/h3-4H,5H2,1-2H3,(H2,10,12,13,14).
What are the key properties of 2-N,2-N-dimethyl-6-(1,3-thiazol-2-ylsulfanylmethyl)-1,3,5-triazine-2,4-diamine?
2-N,2-N-dimethyl-6-(1,3-thiazol-2-ylsulfanylmethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 268.37 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-6-(1,3-thiazol-2-ylsulfanylmethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 47069795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).