4-[[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]-3H-1,3-thiazol-2-one

C9H12N6O2S — CID 106384162

IUPAC4-[[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]-3H-1,3-thiazol-2-one
SMILESCNc1nc(NCc2csc(=O)[nH]2)nc(OC)n1
InChIInChI=1S/C9H12N6O2S/c1-10-6-13-7(15-8(14-6)17-2)11-3-5-4-18-9(16)12-5/h4H,3H2,1-2H3,(H,12,16)(H2,10,11,13,14,15)
InChIKeyVFZYLXXKBLWYBX-UHFFFAOYSA-N
MW268.30 g/mol
LogP0.28
Rot. Bonds5

About 4-[[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]-3H-1,3-thiazol-2-one

4-[[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106384162) has the molecular formula C9H12N6O2S and a molecular weight of 268.30 g/mol. Its IUPAC name is 4-[[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106384162
Molecular FormulaC9H12N6O2S
Molecular Weight268.30 g/mol
Exact Mass268.07
IUPAC Name4-[[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]-3H-1,3-thiazol-2-one
SMILESCNc1nc(NCc2csc(=O)[nH]2)nc(OC)n1
InChIInChI=1S/C9H12N6O2S/c1-10-6-13-7(15-8(14-6)17-2)11-3-5-4-18-9(16)12-5/h4H,3H2,1-2H3,(H,12,16)(H2,10,11,13,14,15)
InChIKeyVFZYLXXKBLWYBX-UHFFFAOYSA-N
XLogP0.28
TPSA104.82 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-[[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]-3H-1,3-thiazol-2-one with MolForge

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Related Compounds

4-[[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106384083
4-[[[4-(methylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106384082
4-[[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106384271
4-[[[2-(methoxymethyl)-6-(methylamino)pyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106384244
6-methoxy-4-N-methyl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80773310
4-[[(1-methylimidazol-2-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106382050
4-[[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one
CID 114181854
4-[[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 136803553
4-[[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106384084
4-[[(6-chloro-5-methoxypyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106383043
4-[[(6-chloro-2-pyridinyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106383027
4-[[(4-propoxypyrimidin-2-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106382308

Frequently Asked Questions

What is the IUPAC name of 4-[[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]-3H-1,3-thiazol-2-one (CID 106384162) is 4-[[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]-3H-1,3-thiazol-2-one is CNc1nc(NCc2csc(=O)[nH]2)nc(OC)n1.
What is the InChIKey of 4-[[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is VFZYLXXKBLWYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O2S/c1-10-6-13-7(15-8(14-6)17-2)11-3-5-4-18-9(16)12-5/h4H,3H2,1-2H3,(H,12,16)(H2,10,11,13,14,15).
What are the key properties of 4-[[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]-3H-1,3-thiazol-2-one?
4-[[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 268.30 g/mol, XLogP of 0.28, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106384162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).