6-[(2-amino-1,3-thiazol-5-yl)sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine

C9H13N7S2 — CID 43249996

IUPAC6-[(2-amino-1,3-thiazol-5-yl)sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(N)nc(CSc2cnc(N)s2)n1
InChIInChI=1S/C9H13N7S2/c1-16(2)9-14-5(13-7(10)15-9)4-17-6-3-12-8(11)18-6/h3H,4H2,1-2H3,(H2,11,12)(H2,10,13,14,15)
InChIKeyQOEAVIHWUSZWDX-UHFFFAOYSA-N
MW283.39 g/mol
LogP0.85
Rot. Bonds4

About 6-[(2-amino-1,3-thiazol-5-yl)sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine

6-[(2-amino-1,3-thiazol-5-yl)sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 43249996) has the molecular formula C9H13N7S2 and a molecular weight of 283.39 g/mol. Its IUPAC name is 6-[(2-amino-1,3-thiazol-5-yl)sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[(2-amino-1,3-thiazol-5-yl)sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID43249996
Molecular FormulaC9H13N7S2
Molecular Weight283.39 g/mol
Exact Mass283.07
IUPAC Name6-[(2-amino-1,3-thiazol-5-yl)sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(N)nc(CSc2cnc(N)s2)n1
InChIInChI=1S/C9H13N7S2/c1-16(2)9-14-5(13-7(10)15-9)4-17-6-3-12-8(11)18-6/h3H,4H2,1-2H3,(H2,11,12)(H2,10,13,14,15)
InChIKeyQOEAVIHWUSZWDX-UHFFFAOYSA-N
XLogP0.85
TPSA106.84 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-amino-1,3-thiazol-5-yl)sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[(2-amino-1,3-thiazol-5-yl)sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 43249996) is 6-[(2-amino-1,3-thiazol-5-yl)sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[(2-amino-1,3-thiazol-5-yl)sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[(2-amino-1,3-thiazol-5-yl)sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is CN(C)c1nc(N)nc(CSc2cnc(N)s2)n1.
What is the InChIKey of 6-[(2-amino-1,3-thiazol-5-yl)sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is QOEAVIHWUSZWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N7S2/c1-16(2)9-14-5(13-7(10)15-9)4-17-6-3-12-8(11)18-6/h3H,4H2,1-2H3,(H2,11,12)(H2,10,13,14,15).
What are the key properties of 6-[(2-amino-1,3-thiazol-5-yl)sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
6-[(2-amino-1,3-thiazol-5-yl)sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 283.39 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-amino-1,3-thiazol-5-yl)sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 43249996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).