N,4-dimethyl-2-pyrazin-2-yl-1,3-thiazole-5-carboximidate

C10H9N4OS- — CID 59280637

IUPACN,4-dimethyl-2-pyrazin-2-yl-1,3-thiazole-5-carboximidate
SMILESC/N=C(\[O-])c1sc(-c2cnccn2)nc1C
InChIInChI=1S/C10H10N4OS/c1-6-8(9(15)11-2)16-10(14-6)7-5-12-3-4-13-7/h3-5H,1-2H3,(H,11,15)/p-1
InChIKeyLIWNIRFUOFFOFR-UHFFFAOYSA-M
MW233.28 g/mol
LogP0.65
Rot. Bonds2

About N,4-dimethyl-2-pyrazin-2-yl-1,3-thiazole-5-carboximidate

N,4-dimethyl-2-pyrazin-2-yl-1,3-thiazole-5-carboximidate (PubChem CID 59280637) has the molecular formula C10H9N4OS- and a molecular weight of 233.28 g/mol. Its IUPAC name is N,4-dimethyl-2-pyrazin-2-yl-1,3-thiazole-5-carboximidate.

Molecular Properties

Compound NameN,4-dimethyl-2-pyrazin-2-yl-1,3-thiazole-5-carboximidate
PubChem CID59280637
Molecular FormulaC10H9N4OS-
Molecular Weight233.28 g/mol
Exact Mass233.05
IUPAC NameN,4-dimethyl-2-pyrazin-2-yl-1,3-thiazole-5-carboximidate
SMILESC/N=C(\[O-])c1sc(-c2cnccn2)nc1C
InChIInChI=1S/C10H10N4OS/c1-6-8(9(15)11-2)16-10(14-6)7-5-12-3-4-13-7/h3-5H,1-2H3,(H,11,15)/p-1
InChIKeyLIWNIRFUOFFOFR-UHFFFAOYSA-M
XLogP0.65
TPSA74.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-2-pyrazin-2-yl-1,3-thiazole-5-carboximidate?
The IUPAC name of N,4-dimethyl-2-pyrazin-2-yl-1,3-thiazole-5-carboximidate (CID 59280637) is N,4-dimethyl-2-pyrazin-2-yl-1,3-thiazole-5-carboximidate.
What is the SMILES notation for N,4-dimethyl-2-pyrazin-2-yl-1,3-thiazole-5-carboximidate?
The canonical SMILES for N,4-dimethyl-2-pyrazin-2-yl-1,3-thiazole-5-carboximidate is C/N=C(\[O-])c1sc(-c2cnccn2)nc1C.
What is the InChIKey of N,4-dimethyl-2-pyrazin-2-yl-1,3-thiazole-5-carboximidate?
The InChIKey is LIWNIRFUOFFOFR-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H10N4OS/c1-6-8(9(15)11-2)16-10(14-6)7-5-12-3-4-13-7/h3-5H,1-2H3,(H,11,15)/p-1.
What are the key properties of N,4-dimethyl-2-pyrazin-2-yl-1,3-thiazole-5-carboximidate?
N,4-dimethyl-2-pyrazin-2-yl-1,3-thiazole-5-carboximidate has a molecular weight of 233.28 g/mol, XLogP of 0.65, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-2-pyrazin-2-yl-1,3-thiazole-5-carboximidate is sourced from PubChem (CID 59280637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).