6-(oxan-4-yl)-3-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1,3-diazinane-2,4-dione

C16H23N3O3S — CID 167976707

IUPAC6-(oxan-4-yl)-3-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1,3-diazinane-2,4-dione
SMILESCC(C)c1csc(CN2C(=O)CC(C3CCOCC3)NC2=O)n1
InChIInChI=1S/C16H23N3O3S/c1-10(2)13-9-23-14(17-13)8-19-15(20)7-12(18-16(19)21)11-3-5-22-6-4-11/h9-12H,3-8H2,1-2H3,(H,18,21)
InChIKeyJGQOZRFHVLCRSU-UHFFFAOYSA-N
MW337.45 g/mol
LogP2.50
Rot. Bonds4

About 6-(oxan-4-yl)-3-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1,3-diazinane-2,4-dione

6-(oxan-4-yl)-3-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1,3-diazinane-2,4-dione (PubChem CID 167976707) has the molecular formula C16H23N3O3S and a molecular weight of 337.45 g/mol. Its IUPAC name is 6-(oxan-4-yl)-3-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name6-(oxan-4-yl)-3-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1,3-diazinane-2,4-dione
PubChem CID167976707
Molecular FormulaC16H23N3O3S
Molecular Weight337.45 g/mol
Exact Mass337.15
IUPAC Name6-(oxan-4-yl)-3-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1,3-diazinane-2,4-dione
SMILESCC(C)c1csc(CN2C(=O)CC(C3CCOCC3)NC2=O)n1
InChIInChI=1S/C16H23N3O3S/c1-10(2)13-9-23-14(17-13)8-19-15(20)7-12(18-16(19)21)11-3-5-22-6-4-11/h9-12H,3-8H2,1-2H3,(H,18,21)
InChIKeyJGQOZRFHVLCRSU-UHFFFAOYSA-N
XLogP2.50
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(oxan-4-yl)-3-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1,3-diazinane-2,4-dione?
The IUPAC name of 6-(oxan-4-yl)-3-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1,3-diazinane-2,4-dione (CID 167976707) is 6-(oxan-4-yl)-3-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 6-(oxan-4-yl)-3-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 6-(oxan-4-yl)-3-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1,3-diazinane-2,4-dione is CC(C)c1csc(CN2C(=O)CC(C3CCOCC3)NC2=O)n1.
What is the InChIKey of 6-(oxan-4-yl)-3-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1,3-diazinane-2,4-dione?
The InChIKey is JGQOZRFHVLCRSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S/c1-10(2)13-9-23-14(17-13)8-19-15(20)7-12(18-16(19)21)11-3-5-22-6-4-11/h9-12H,3-8H2,1-2H3,(H,18,21).
What are the key properties of 6-(oxan-4-yl)-3-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1,3-diazinane-2,4-dione?
6-(oxan-4-yl)-3-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1,3-diazinane-2,4-dione has a molecular weight of 337.45 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(oxan-4-yl)-3-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 167976707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).