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

C10H10N8OS — CID 106384080

IUPAC4-[[(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESNc1nc(NCc2csc(=O)[nH]2)nc(-n2cccn2)n1
InChIInChI=1S/C10H10N8OS/c11-7-15-8(12-4-6-5-20-10(19)14-6)17-9(16-7)18-3-1-2-13-18/h1-3,5H,4H2,(H,14,19)(H3,11,12,15,16,17)
InChIKeyIUXFZUDIGMIPRI-UHFFFAOYSA-N
MW290.31 g/mol
LogP0.00
Rot. Bonds4

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

4-[[(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106384080) has the molecular formula C10H10N8OS and a molecular weight of 290.31 g/mol. Its IUPAC name is 4-[[(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106384080
Molecular FormulaC10H10N8OS
Molecular Weight290.31 g/mol
Exact Mass290.07
IUPAC Name4-[[(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESNc1nc(NCc2csc(=O)[nH]2)nc(-n2cccn2)n1
InChIInChI=1S/C10H10N8OS/c11-7-15-8(12-4-6-5-20-10(19)14-6)17-9(16-7)18-3-1-2-13-18/h1-3,5H,4H2,(H,14,19)(H3,11,12,15,16,17)
InChIKeyIUXFZUDIGMIPRI-UHFFFAOYSA-N
XLogP0.00
TPSA127.40 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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

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Related Compounds

2-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80807311
4-[[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106384271
6-pyrazol-1-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
CID 80786209
6-pyrazol-1-yl-2-N-(2,3,3-trimethylbutyl)-1,3,5-triazine-2,4-diamine
CID 83146536
2-N-[(5-methylpyrazin-2-yl)methyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80804633
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
2-N-[2-(dimethylamino)ethyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80770186
2-N-(cyclobutylmethyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80784120
2-N-[(5-methylfuran-2-yl)methyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80827784
2-N-(2-phenylethyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80772450
2-[(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-N-propan-2-ylacetamide
CID 80792547
2-N-[2-(5-chlorothiophen-2-yl)ethyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 106042703

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]methyl]-3H-1,3-thiazol-2-one (CID 106384080) is 4-[[(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]methyl]-3H-1,3-thiazol-2-one is Nc1nc(NCc2csc(=O)[nH]2)nc(-n2cccn2)n1.
What is the InChIKey of 4-[[(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is IUXFZUDIGMIPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N8OS/c11-7-15-8(12-4-6-5-20-10(19)14-6)17-9(16-7)18-3-1-2-13-18/h1-3,5H,4H2,(H,14,19)(H3,11,12,15,16,17).
What are the key properties of 4-[[(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]methyl]-3H-1,3-thiazol-2-one?
4-[[(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 290.31 g/mol, XLogP of 0.00, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106384080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).