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

C10H14N6O2S — CID 106384271

IUPAC4-[[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCC(C)Oc1nc(N)nc(NCc2csc(=O)[nH]2)n1
InChIInChI=1S/C10H14N6O2S/c1-5(2)18-9-15-7(11)14-8(16-9)12-3-6-4-19-10(17)13-6/h4-5H,3H2,1-2H3,(H,13,17)(H3,11,12,14,15,16)
InChIKeyFIFRZDKSBABJIY-UHFFFAOYSA-N
MW282.33 g/mol
LogP0.60
Rot. Bonds5

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

4-[[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106384271) has the molecular formula C10H14N6O2S and a molecular weight of 282.33 g/mol. Its IUPAC name is 4-[[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106384271
Molecular FormulaC10H14N6O2S
Molecular Weight282.33 g/mol
Exact Mass282.09
IUPAC Name4-[[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCC(C)Oc1nc(N)nc(NCc2csc(=O)[nH]2)n1
InChIInChI=1S/C10H14N6O2S/c1-5(2)18-9-15-7(11)14-8(16-9)12-3-6-4-19-10(17)13-6/h4-5H,3H2,1-2H3,(H,13,17)(H3,11,12,14,15,16)
InChIKeyFIFRZDKSBABJIY-UHFFFAOYSA-N
XLogP0.60
TPSA118.81 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

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Launch Full Analysis

Related Compounds

4-[[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106379398
4-[[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106384162
4-[[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106384083
4-[[(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106384080
2-N-[(2-bromophenyl)methyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80794796
2-N-(cyclopropylmethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80770389
2-N-(4-methylpentyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80831552
3-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-2,2-dimethylpropanamide
CID 106280510
2-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80814249
2-N-[2-[ethyl(methyl)amino]ethyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80832721
2-N-[3-(dimethylamino)propyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80777165
2-N-(2-cyclopropylethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80847314

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]methyl]-3H-1,3-thiazol-2-one (CID 106384271) is 4-[[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]methyl]-3H-1,3-thiazol-2-one is CC(C)Oc1nc(N)nc(NCc2csc(=O)[nH]2)n1.
What is the InChIKey of 4-[[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is FIFRZDKSBABJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O2S/c1-5(2)18-9-15-7(11)14-8(16-9)12-3-6-4-19-10(17)13-6/h4-5H,3H2,1-2H3,(H,13,17)(H3,11,12,14,15,16).
What are the key properties of 4-[[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]methyl]-3H-1,3-thiazol-2-one?
4-[[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 282.33 g/mol, XLogP of 0.60, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106384271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).