3-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-4-methyl-1,3-thiazol-2-one

C10H13N5OS — CID 80656727

IUPAC3-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-4-methyl-1,3-thiazol-2-one
SMILESCc1cc(NN)nc(Cn2c(C)csc2=O)n1
InChIInChI=1S/C10H13N5OS/c1-6-3-8(14-11)13-9(12-6)4-15-7(2)5-17-10(15)16/h3,5H,4,11H2,1-2H3,(H,12,13,14)
InChIKeyDFPNKMPBVQCQIL-UHFFFAOYSA-N
MW251.31 g/mol
LogP0.65
Rot. Bonds3

About 3-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-4-methyl-1,3-thiazol-2-one

3-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-4-methyl-1,3-thiazol-2-one (PubChem CID 80656727) has the molecular formula C10H13N5OS and a molecular weight of 251.31 g/mol. Its IUPAC name is 3-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-4-methyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-4-methyl-1,3-thiazol-2-one
PubChem CID80656727
Molecular FormulaC10H13N5OS
Molecular Weight251.31 g/mol
Exact Mass251.08
IUPAC Name3-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-4-methyl-1,3-thiazol-2-one
SMILESCc1cc(NN)nc(Cn2c(C)csc2=O)n1
InChIInChI=1S/C10H13N5OS/c1-6-3-8(14-11)13-9(12-6)4-15-7(2)5-17-10(15)16/h3,5H,4,11H2,1-2H3,(H,12,13,14)
InChIKeyDFPNKMPBVQCQIL-UHFFFAOYSA-N
XLogP0.65
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-4-methyl-1,3-thiazol-2-one?
The IUPAC name of 3-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-4-methyl-1,3-thiazol-2-one (CID 80656727) is 3-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-4-methyl-1,3-thiazol-2-one.
What is the SMILES notation for 3-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-4-methyl-1,3-thiazol-2-one?
The canonical SMILES for 3-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-4-methyl-1,3-thiazol-2-one is Cc1cc(NN)nc(Cn2c(C)csc2=O)n1.
What is the InChIKey of 3-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-4-methyl-1,3-thiazol-2-one?
The InChIKey is DFPNKMPBVQCQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5OS/c1-6-3-8(14-11)13-9(12-6)4-15-7(2)5-17-10(15)16/h3,5H,4,11H2,1-2H3,(H,12,13,14).
What are the key properties of 3-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-4-methyl-1,3-thiazol-2-one?
3-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-4-methyl-1,3-thiazol-2-one has a molecular weight of 251.31 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-4-methyl-1,3-thiazol-2-one is sourced from PubChem (CID 80656727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).