2-(2-methyl-1,3-thiazol-4-yl)-N-[[2-(oxan-3-yl)pyrimidin-4-yl]methyl]acetamide

C16H20N4O2S — CID 110117974

IUPAC2-(2-methyl-1,3-thiazol-4-yl)-N-[[2-(oxan-3-yl)pyrimidin-4-yl]methyl]acetamide
SMILESCc1nc(CC(=O)NCc2ccnc(C3CCCOC3)n2)cs1
InChIInChI=1S/C16H20N4O2S/c1-11-19-14(10-23-11)7-15(21)18-8-13-4-5-17-16(20-13)12-3-2-6-22-9-12/h4-5,10,12H,2-3,6-9H2,1H3,(H,18,21)
InChIKeyDMXGULVNBJEBAS-UHFFFAOYSA-N
MW332.43 g/mol
LogP1.99
Rot. Bonds5

About 2-(2-methyl-1,3-thiazol-4-yl)-N-[[2-(oxan-3-yl)pyrimidin-4-yl]methyl]acetamide

2-(2-methyl-1,3-thiazol-4-yl)-N-[[2-(oxan-3-yl)pyrimidin-4-yl]methyl]acetamide (PubChem CID 110117974) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is 2-(2-methyl-1,3-thiazol-4-yl)-N-[[2-(oxan-3-yl)pyrimidin-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(2-methyl-1,3-thiazol-4-yl)-N-[[2-(oxan-3-yl)pyrimidin-4-yl]methyl]acetamide
PubChem CID110117974
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name2-(2-methyl-1,3-thiazol-4-yl)-N-[[2-(oxan-3-yl)pyrimidin-4-yl]methyl]acetamide
SMILESCc1nc(CC(=O)NCc2ccnc(C3CCCOC3)n2)cs1
InChIInChI=1S/C16H20N4O2S/c1-11-19-14(10-23-11)7-15(21)18-8-13-4-5-17-16(20-13)12-3-2-6-22-9-12/h4-5,10,12H,2-3,6-9H2,1H3,(H,18,21)
InChIKeyDMXGULVNBJEBAS-UHFFFAOYSA-N
XLogP1.99
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-N-[[2-(oxan-3-yl)pyrimidin-4-yl]methyl]acetamide?
The IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-N-[[2-(oxan-3-yl)pyrimidin-4-yl]methyl]acetamide (CID 110117974) is 2-(2-methyl-1,3-thiazol-4-yl)-N-[[2-(oxan-3-yl)pyrimidin-4-yl]methyl]acetamide.
What is the SMILES notation for 2-(2-methyl-1,3-thiazol-4-yl)-N-[[2-(oxan-3-yl)pyrimidin-4-yl]methyl]acetamide?
The canonical SMILES for 2-(2-methyl-1,3-thiazol-4-yl)-N-[[2-(oxan-3-yl)pyrimidin-4-yl]methyl]acetamide is Cc1nc(CC(=O)NCc2ccnc(C3CCCOC3)n2)cs1.
What is the InChIKey of 2-(2-methyl-1,3-thiazol-4-yl)-N-[[2-(oxan-3-yl)pyrimidin-4-yl]methyl]acetamide?
The InChIKey is DMXGULVNBJEBAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-11-19-14(10-23-11)7-15(21)18-8-13-4-5-17-16(20-13)12-3-2-6-22-9-12/h4-5,10,12H,2-3,6-9H2,1H3,(H,18,21).
What are the key properties of 2-(2-methyl-1,3-thiazol-4-yl)-N-[[2-(oxan-3-yl)pyrimidin-4-yl]methyl]acetamide?
2-(2-methyl-1,3-thiazol-4-yl)-N-[[2-(oxan-3-yl)pyrimidin-4-yl]methyl]acetamide has a molecular weight of 332.43 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-thiazol-4-yl)-N-[[2-(oxan-3-yl)pyrimidin-4-yl]methyl]acetamide is sourced from PubChem (CID 110117974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).