3-(2-amino-1,3-thiazol-4-yl)-1-(2-methoxyethyl)-6-propan-2-ylpyridin-2-one

C14H19N3O2S — CID 82524073

IUPAC3-(2-amino-1,3-thiazol-4-yl)-1-(2-methoxyethyl)-6-propan-2-ylpyridin-2-one
SMILESCOCCn1c(C(C)C)ccc(-c2csc(N)n2)c1=O
InChIInChI=1S/C14H19N3O2S/c1-9(2)12-5-4-10(11-8-20-14(15)16-11)13(18)17(12)6-7-19-3/h4-5,8-9H,6-7H2,1-3H3,(H2,15,16)
InChIKeyYDCRQKDICVAQDU-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.32
Rot. Bonds5

About 3-(2-amino-1,3-thiazol-4-yl)-1-(2-methoxyethyl)-6-propan-2-ylpyridin-2-one

3-(2-amino-1,3-thiazol-4-yl)-1-(2-methoxyethyl)-6-propan-2-ylpyridin-2-one (PubChem CID 82524073) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 3-(2-amino-1,3-thiazol-4-yl)-1-(2-methoxyethyl)-6-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name3-(2-amino-1,3-thiazol-4-yl)-1-(2-methoxyethyl)-6-propan-2-ylpyridin-2-one
PubChem CID82524073
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name3-(2-amino-1,3-thiazol-4-yl)-1-(2-methoxyethyl)-6-propan-2-ylpyridin-2-one
SMILESCOCCn1c(C(C)C)ccc(-c2csc(N)n2)c1=O
InChIInChI=1S/C14H19N3O2S/c1-9(2)12-5-4-10(11-8-20-14(15)16-11)13(18)17(12)6-7-19-3/h4-5,8-9H,6-7H2,1-3H3,(H2,15,16)
InChIKeyYDCRQKDICVAQDU-UHFFFAOYSA-N
XLogP2.32
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-1,3-thiazol-4-yl)-1-(2-methoxyethyl)-6-propan-2-ylpyridin-2-one?
The IUPAC name of 3-(2-amino-1,3-thiazol-4-yl)-1-(2-methoxyethyl)-6-propan-2-ylpyridin-2-one (CID 82524073) is 3-(2-amino-1,3-thiazol-4-yl)-1-(2-methoxyethyl)-6-propan-2-ylpyridin-2-one.
What is the SMILES notation for 3-(2-amino-1,3-thiazol-4-yl)-1-(2-methoxyethyl)-6-propan-2-ylpyridin-2-one?
The canonical SMILES for 3-(2-amino-1,3-thiazol-4-yl)-1-(2-methoxyethyl)-6-propan-2-ylpyridin-2-one is COCCn1c(C(C)C)ccc(-c2csc(N)n2)c1=O.
What is the InChIKey of 3-(2-amino-1,3-thiazol-4-yl)-1-(2-methoxyethyl)-6-propan-2-ylpyridin-2-one?
The InChIKey is YDCRQKDICVAQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-9(2)12-5-4-10(11-8-20-14(15)16-11)13(18)17(12)6-7-19-3/h4-5,8-9H,6-7H2,1-3H3,(H2,15,16).
What are the key properties of 3-(2-amino-1,3-thiazol-4-yl)-1-(2-methoxyethyl)-6-propan-2-ylpyridin-2-one?
3-(2-amino-1,3-thiazol-4-yl)-1-(2-methoxyethyl)-6-propan-2-ylpyridin-2-one has a molecular weight of 293.39 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-1,3-thiazol-4-yl)-1-(2-methoxyethyl)-6-propan-2-ylpyridin-2-one is sourced from PubChem (CID 82524073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).