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

C15H19N5O3S — CID 70765357

IUPAC2-methoxy-4-methyl-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-1,3-thiazole-5-carboxamide
SMILESCOc1nc(C)c(C(=O)NCc2cc(N3CCOCC3)ncn2)s1
InChIInChI=1S/C15H19N5O3S/c1-10-13(24-15(19-10)22-2)14(21)16-8-11-7-12(18-9-17-11)20-3-5-23-6-4-20/h7,9H,3-6,8H2,1-2H3,(H,16,21)
InChIKeyFOCHDJPRJNNUJX-UHFFFAOYSA-N
MW349.42 g/mol
LogP1.02
Rot. Bonds5

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

2-methoxy-4-methyl-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-1,3-thiazole-5-carboxamide (PubChem CID 70765357) has the molecular formula C15H19N5O3S and a molecular weight of 349.42 g/mol. Its IUPAC name is 2-methoxy-4-methyl-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-methoxy-4-methyl-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-1,3-thiazole-5-carboxamide
PubChem CID70765357
Molecular FormulaC15H19N5O3S
Molecular Weight349.42 g/mol
Exact Mass349.12
IUPAC Name2-methoxy-4-methyl-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-1,3-thiazole-5-carboxamide
SMILESCOc1nc(C)c(C(=O)NCc2cc(N3CCOCC3)ncn2)s1
InChIInChI=1S/C15H19N5O3S/c1-10-13(24-15(19-10)22-2)14(21)16-8-11-7-12(18-9-17-11)20-3-5-23-6-4-20/h7,9H,3-6,8H2,1-2H3,(H,16,21)
InChIKeyFOCHDJPRJNNUJX-UHFFFAOYSA-N
XLogP1.02
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-methyl-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-methoxy-4-methyl-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-1,3-thiazole-5-carboxamide (CID 70765357) is 2-methoxy-4-methyl-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-methoxy-4-methyl-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-methoxy-4-methyl-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-1,3-thiazole-5-carboxamide is COc1nc(C)c(C(=O)NCc2cc(N3CCOCC3)ncn2)s1.
What is the InChIKey of 2-methoxy-4-methyl-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is FOCHDJPRJNNUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3S/c1-10-13(24-15(19-10)22-2)14(21)16-8-11-7-12(18-9-17-11)20-3-5-23-6-4-20/h7,9H,3-6,8H2,1-2H3,(H,16,21).
What are the key properties of 2-methoxy-4-methyl-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-1,3-thiazole-5-carboxamide?
2-methoxy-4-methyl-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 349.42 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-methyl-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 70765357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).