4-methoxy-6-propan-2-yloxy-N-(1,3,4-thiadiazol-2-yl)-1,3,5-triazine-2-carboxamide

C10H12N6O3S — CID 67489897

IUPAC4-methoxy-6-propan-2-yloxy-N-(1,3,4-thiadiazol-2-yl)-1,3,5-triazine-2-carboxamide
SMILESCOc1nc(OC(C)C)nc(C(=O)Nc2nncs2)n1
InChIInChI=1S/C10H12N6O3S/c1-5(2)19-9-13-6(12-8(15-9)18-3)7(17)14-10-16-11-4-20-10/h4-5H,1-3H3,(H,14,16,17)
InChIKeyHGSFYAHYMUCSPB-UHFFFAOYSA-N
MW296.31 g/mol
LogP0.77
Rot. Bonds5

About 4-methoxy-6-propan-2-yloxy-N-(1,3,4-thiadiazol-2-yl)-1,3,5-triazine-2-carboxamide

4-methoxy-6-propan-2-yloxy-N-(1,3,4-thiadiazol-2-yl)-1,3,5-triazine-2-carboxamide (PubChem CID 67489897) has the molecular formula C10H12N6O3S and a molecular weight of 296.31 g/mol. Its IUPAC name is 4-methoxy-6-propan-2-yloxy-N-(1,3,4-thiadiazol-2-yl)-1,3,5-triazine-2-carboxamide.

Molecular Properties

Compound Name4-methoxy-6-propan-2-yloxy-N-(1,3,4-thiadiazol-2-yl)-1,3,5-triazine-2-carboxamide
PubChem CID67489897
Molecular FormulaC10H12N6O3S
Molecular Weight296.31 g/mol
Exact Mass296.07
IUPAC Name4-methoxy-6-propan-2-yloxy-N-(1,3,4-thiadiazol-2-yl)-1,3,5-triazine-2-carboxamide
SMILESCOc1nc(OC(C)C)nc(C(=O)Nc2nncs2)n1
InChIInChI=1S/C10H12N6O3S/c1-5(2)19-9-13-6(12-8(15-9)18-3)7(17)14-10-16-11-4-20-10/h4-5H,1-3H3,(H,14,16,17)
InChIKeyHGSFYAHYMUCSPB-UHFFFAOYSA-N
XLogP0.77
TPSA112.01 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-propan-2-yloxy-N-(1,3,4-thiadiazol-2-yl)-1,3,5-triazine-2-carboxamide?
The IUPAC name of 4-methoxy-6-propan-2-yloxy-N-(1,3,4-thiadiazol-2-yl)-1,3,5-triazine-2-carboxamide (CID 67489897) is 4-methoxy-6-propan-2-yloxy-N-(1,3,4-thiadiazol-2-yl)-1,3,5-triazine-2-carboxamide.
What is the SMILES notation for 4-methoxy-6-propan-2-yloxy-N-(1,3,4-thiadiazol-2-yl)-1,3,5-triazine-2-carboxamide?
The canonical SMILES for 4-methoxy-6-propan-2-yloxy-N-(1,3,4-thiadiazol-2-yl)-1,3,5-triazine-2-carboxamide is COc1nc(OC(C)C)nc(C(=O)Nc2nncs2)n1.
What is the InChIKey of 4-methoxy-6-propan-2-yloxy-N-(1,3,4-thiadiazol-2-yl)-1,3,5-triazine-2-carboxamide?
The InChIKey is HGSFYAHYMUCSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O3S/c1-5(2)19-9-13-6(12-8(15-9)18-3)7(17)14-10-16-11-4-20-10/h4-5H,1-3H3,(H,14,16,17).
What are the key properties of 4-methoxy-6-propan-2-yloxy-N-(1,3,4-thiadiazol-2-yl)-1,3,5-triazine-2-carboxamide?
4-methoxy-6-propan-2-yloxy-N-(1,3,4-thiadiazol-2-yl)-1,3,5-triazine-2-carboxamide has a molecular weight of 296.31 g/mol, XLogP of 0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-propan-2-yloxy-N-(1,3,4-thiadiazol-2-yl)-1,3,5-triazine-2-carboxamide is sourced from PubChem (CID 67489897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).