1-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-[2-(1,3-oxazol-2-yl)phenyl]sulfonylurea

C15H14N6O4S — CID 13390072

IUPAC1-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-[2-(1,3-oxazol-2-yl)phenyl]sulfonylurea
SMILESCc1nc(C)nc(NC(=O)NS(=O)(=O)c2ccccc2-c2ncco2)n1
InChIInChI=1S/C15H14N6O4S/c1-9-17-10(2)19-14(18-9)20-15(22)21-26(23,24)12-6-4-3-5-11(12)13-16-7-8-25-13/h3-8H,1-2H3,(H2,17,18,19,20,21,22)
InChIKeyCOINIBGZHUXSMU-UHFFFAOYSA-N
MW374.38 g/mol
LogP1.65
Rot. Bonds4

About 1-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-[2-(1,3-oxazol-2-yl)phenyl]sulfonylurea

1-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-[2-(1,3-oxazol-2-yl)phenyl]sulfonylurea (PubChem CID 13390072) has the molecular formula C15H14N6O4S and a molecular weight of 374.38 g/mol. Its IUPAC name is 1-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-[2-(1,3-oxazol-2-yl)phenyl]sulfonylurea.

Molecular Properties

Compound Name1-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-[2-(1,3-oxazol-2-yl)phenyl]sulfonylurea
PubChem CID13390072
Molecular FormulaC15H14N6O4S
Molecular Weight374.38 g/mol
Exact Mass374.08
IUPAC Name1-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-[2-(1,3-oxazol-2-yl)phenyl]sulfonylurea
SMILESCc1nc(C)nc(NC(=O)NS(=O)(=O)c2ccccc2-c2ncco2)n1
InChIInChI=1S/C15H14N6O4S/c1-9-17-10(2)19-14(18-9)20-15(22)21-26(23,24)12-6-4-3-5-11(12)13-16-7-8-25-13/h3-8H,1-2H3,(H2,17,18,19,20,21,22)
InChIKeyCOINIBGZHUXSMU-UHFFFAOYSA-N
XLogP1.65
TPSA139.97 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.38
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-[2-(1,3-oxazol-2-yl)phenyl]sulfonylurea?
The IUPAC name of 1-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-[2-(1,3-oxazol-2-yl)phenyl]sulfonylurea (CID 13390072) is 1-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-[2-(1,3-oxazol-2-yl)phenyl]sulfonylurea.
What is the SMILES notation for 1-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-[2-(1,3-oxazol-2-yl)phenyl]sulfonylurea?
The canonical SMILES for 1-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-[2-(1,3-oxazol-2-yl)phenyl]sulfonylurea is Cc1nc(C)nc(NC(=O)NS(=O)(=O)c2ccccc2-c2ncco2)n1.
What is the InChIKey of 1-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-[2-(1,3-oxazol-2-yl)phenyl]sulfonylurea?
The InChIKey is COINIBGZHUXSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6O4S/c1-9-17-10(2)19-14(18-9)20-15(22)21-26(23,24)12-6-4-3-5-11(12)13-16-7-8-25-13/h3-8H,1-2H3,(H2,17,18,19,20,21,22).
What are the key properties of 1-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-[2-(1,3-oxazol-2-yl)phenyl]sulfonylurea?
1-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-[2-(1,3-oxazol-2-yl)phenyl]sulfonylurea has a molecular weight of 374.38 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-[2-(1,3-oxazol-2-yl)phenyl]sulfonylurea is sourced from PubChem (CID 13390072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).