2,4-dimethyl-N-[[2-(oxan-3-yl)pyrimidin-4-yl]methyl]-1,3-thiazole-5-carboxamide

C16H20N4O2S — CID 110117950

IUPAC2,4-dimethyl-N-[[2-(oxan-3-yl)pyrimidin-4-yl]methyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NCc2ccnc(C3CCCOC3)n2)s1
InChIInChI=1S/C16H20N4O2S/c1-10-14(23-11(2)19-10)16(21)18-8-13-5-6-17-15(20-13)12-4-3-7-22-9-12/h5-6,12H,3-4,7-9H2,1-2H3,(H,18,21)
InChIKeyATTATVYVOOTFGG-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.37
Rot. Bonds4

About 2,4-dimethyl-N-[[2-(oxan-3-yl)pyrimidin-4-yl]methyl]-1,3-thiazole-5-carboxamide

2,4-dimethyl-N-[[2-(oxan-3-yl)pyrimidin-4-yl]methyl]-1,3-thiazole-5-carboxamide (PubChem CID 110117950) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is 2,4-dimethyl-N-[[2-(oxan-3-yl)pyrimidin-4-yl]methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[[2-(oxan-3-yl)pyrimidin-4-yl]methyl]-1,3-thiazole-5-carboxamide
PubChem CID110117950
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name2,4-dimethyl-N-[[2-(oxan-3-yl)pyrimidin-4-yl]methyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NCc2ccnc(C3CCCOC3)n2)s1
InChIInChI=1S/C16H20N4O2S/c1-10-14(23-11(2)19-10)16(21)18-8-13-5-6-17-15(20-13)12-4-3-7-22-9-12/h5-6,12H,3-4,7-9H2,1-2H3,(H,18,21)
InChIKeyATTATVYVOOTFGG-UHFFFAOYSA-N
XLogP2.37
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2,4-dimethyl-N-[[2-(oxan-3-yl)pyrimidin-4-yl]methyl]-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

5-methyl-N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]thiophene-2-carboxamide
CID 125025075
5-methyl-N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]pyrazine-2-carboxamide
CID 124957512
2-(2-methyl-1,3-thiazol-4-yl)-N-[[2-(oxan-3-yl)pyrimidin-4-yl]methyl]acetamide
CID 110117974
N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]-1,2-oxazole-5-carboxamide
CID 124939962
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]propanamide
CID 125016091
N-[[2-(oxan-3-yl)pyrimidin-4-yl]methyl]-5-propan-2-ylthiophene-3-carboxamide
CID 110117996
N-[[2-(oxan-3-yl)pyrimidin-4-yl]methyl]ethanesulfonamide
CID 110118014
N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]ethanesulfonamide
CID 125021480
2-imidazol-1-yl-N-[[2-(oxan-3-yl)pyrimidin-4-yl]methyl]acetamide
CID 110117959
2-(2-fluorophenoxy)-N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]acetamide
CID 124987265
2-(3-fluorophenoxy)-N-[[2-[(3S)-oxan-3-yl]pyrimidin-4-yl]methyl]acetamide
CID 124983721
4-fluoro-N-[[2-(oxan-3-yl)pyrimidin-4-yl]methyl]benzenesulfonamide
CID 110118016

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[[2-(oxan-3-yl)pyrimidin-4-yl]methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2,4-dimethyl-N-[[2-(oxan-3-yl)pyrimidin-4-yl]methyl]-1,3-thiazole-5-carboxamide (CID 110117950) is 2,4-dimethyl-N-[[2-(oxan-3-yl)pyrimidin-4-yl]methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-[[2-(oxan-3-yl)pyrimidin-4-yl]methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-[[2-(oxan-3-yl)pyrimidin-4-yl]methyl]-1,3-thiazole-5-carboxamide is Cc1nc(C)c(C(=O)NCc2ccnc(C3CCCOC3)n2)s1.
What is the InChIKey of 2,4-dimethyl-N-[[2-(oxan-3-yl)pyrimidin-4-yl]methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is ATTATVYVOOTFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-10-14(23-11(2)19-10)16(21)18-8-13-5-6-17-15(20-13)12-4-3-7-22-9-12/h5-6,12H,3-4,7-9H2,1-2H3,(H,18,21).
What are the key properties of 2,4-dimethyl-N-[[2-(oxan-3-yl)pyrimidin-4-yl]methyl]-1,3-thiazole-5-carboxamide?
2,4-dimethyl-N-[[2-(oxan-3-yl)pyrimidin-4-yl]methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 332.43 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[[2-(oxan-3-yl)pyrimidin-4-yl]methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 110117950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).