2,4-dimethyl-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]-1,3-thiazole-5-carboxamide

C16H21N5O2S — CID 71807455

IUPAC2,4-dimethyl-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]-1,3-thiazole-5-carboxamide
SMILESCc1cc(N2CCOCC2)nc(CNC(=O)c2sc(C)nc2C)n1
InChIInChI=1S/C16H21N5O2S/c1-10-8-14(21-4-6-23-7-5-21)20-13(18-10)9-17-16(22)15-11(2)19-12(3)24-15/h8H,4-7,9H2,1-3H3,(H,17,22)
InChIKeyKONXLBRDRRRGAI-UHFFFAOYSA-N
MW347.44 g/mol
LogP1.62
Rot. Bonds4

About 2,4-dimethyl-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]-1,3-thiazole-5-carboxamide

2,4-dimethyl-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]-1,3-thiazole-5-carboxamide (PubChem CID 71807455) has the molecular formula C16H21N5O2S and a molecular weight of 347.44 g/mol. Its IUPAC name is 2,4-dimethyl-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]-1,3-thiazole-5-carboxamide
PubChem CID71807455
Molecular FormulaC16H21N5O2S
Molecular Weight347.44 g/mol
Exact Mass347.14
IUPAC Name2,4-dimethyl-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]-1,3-thiazole-5-carboxamide
SMILESCc1cc(N2CCOCC2)nc(CNC(=O)c2sc(C)nc2C)n1
InChIInChI=1S/C16H21N5O2S/c1-10-8-14(21-4-6-23-7-5-21)20-13(18-10)9-17-16(22)15-11(2)19-12(3)24-15/h8H,4-7,9H2,1-3H3,(H,17,22)
InChIKeyKONXLBRDRRRGAI-UHFFFAOYSA-N
XLogP1.62
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2,4-dimethyl-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]-1,3-thiazole-5-carboxamide (CID 71807455) is 2,4-dimethyl-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]-1,3-thiazole-5-carboxamide is Cc1cc(N2CCOCC2)nc(CNC(=O)c2sc(C)nc2C)n1.
What is the InChIKey of 2,4-dimethyl-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is KONXLBRDRRRGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2S/c1-10-8-14(21-4-6-23-7-5-21)20-13(18-10)9-17-16(22)15-11(2)19-12(3)24-15/h8H,4-7,9H2,1-3H3,(H,17,22).
What are the key properties of 2,4-dimethyl-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]-1,3-thiazole-5-carboxamide?
2,4-dimethyl-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 347.44 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 71807455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).