3-(5-amino-1,3,4-thiadiazol-2-yl)-4,6-dimethyl-1-propan-2-ylpyridin-2-one

C12H16N4OS — CID 82526113

IUPAC3-(5-amino-1,3,4-thiadiazol-2-yl)-4,6-dimethyl-1-propan-2-ylpyridin-2-one
SMILESCc1cc(C)n(C(C)C)c(=O)c1-c1nnc(N)s1
InChIInChI=1S/C12H16N4OS/c1-6(2)16-8(4)5-7(3)9(11(16)17)10-14-15-12(13)18-10/h5-6H,1-4H3,(H2,13,15)
InChIKeyDVARRWFOKGZIOO-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.15
Rot. Bonds2

About 3-(5-amino-1,3,4-thiadiazol-2-yl)-4,6-dimethyl-1-propan-2-ylpyridin-2-one

3-(5-amino-1,3,4-thiadiazol-2-yl)-4,6-dimethyl-1-propan-2-ylpyridin-2-one (PubChem CID 82526113) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is 3-(5-amino-1,3,4-thiadiazol-2-yl)-4,6-dimethyl-1-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name3-(5-amino-1,3,4-thiadiazol-2-yl)-4,6-dimethyl-1-propan-2-ylpyridin-2-one
PubChem CID82526113
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name3-(5-amino-1,3,4-thiadiazol-2-yl)-4,6-dimethyl-1-propan-2-ylpyridin-2-one
SMILESCc1cc(C)n(C(C)C)c(=O)c1-c1nnc(N)s1
InChIInChI=1S/C12H16N4OS/c1-6(2)16-8(4)5-7(3)9(11(16)17)10-14-15-12(13)18-10/h5-6H,1-4H3,(H2,13,15)
InChIKeyDVARRWFOKGZIOO-UHFFFAOYSA-N
XLogP2.15
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-1,3,4-thiadiazol-2-yl)-4,6-dimethyl-1-propan-2-ylpyridin-2-one?
The IUPAC name of 3-(5-amino-1,3,4-thiadiazol-2-yl)-4,6-dimethyl-1-propan-2-ylpyridin-2-one (CID 82526113) is 3-(5-amino-1,3,4-thiadiazol-2-yl)-4,6-dimethyl-1-propan-2-ylpyridin-2-one.
What is the SMILES notation for 3-(5-amino-1,3,4-thiadiazol-2-yl)-4,6-dimethyl-1-propan-2-ylpyridin-2-one?
The canonical SMILES for 3-(5-amino-1,3,4-thiadiazol-2-yl)-4,6-dimethyl-1-propan-2-ylpyridin-2-one is Cc1cc(C)n(C(C)C)c(=O)c1-c1nnc(N)s1.
What is the InChIKey of 3-(5-amino-1,3,4-thiadiazol-2-yl)-4,6-dimethyl-1-propan-2-ylpyridin-2-one?
The InChIKey is DVARRWFOKGZIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-6(2)16-8(4)5-7(3)9(11(16)17)10-14-15-12(13)18-10/h5-6H,1-4H3,(H2,13,15).
What are the key properties of 3-(5-amino-1,3,4-thiadiazol-2-yl)-4,6-dimethyl-1-propan-2-ylpyridin-2-one?
3-(5-amino-1,3,4-thiadiazol-2-yl)-4,6-dimethyl-1-propan-2-ylpyridin-2-one has a molecular weight of 264.35 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-1,3,4-thiadiazol-2-yl)-4,6-dimethyl-1-propan-2-ylpyridin-2-one is sourced from PubChem (CID 82526113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).