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

C12H14N4OS — CID 122263300

IUPAC2,4-dimethyl-N-[(6-methylpyrimidin-4-yl)methyl]-1,3-thiazole-5-carboxamide
SMILESCc1cc(CNC(=O)c2sc(C)nc2C)ncn1
InChIInChI=1S/C12H14N4OS/c1-7-4-10(15-6-14-7)5-13-12(17)11-8(2)16-9(3)18-11/h4,6H,5H2,1-3H3,(H,13,17)
InChIKeyNXXSFEZIIQFXPJ-UHFFFAOYSA-N
MW262.34 g/mol
LogP1.79
Rot. Bonds3

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

2,4-dimethyl-N-[(6-methylpyrimidin-4-yl)methyl]-1,3-thiazole-5-carboxamide (PubChem CID 122263300) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is 2,4-dimethyl-N-[(6-methylpyrimidin-4-yl)methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[(6-methylpyrimidin-4-yl)methyl]-1,3-thiazole-5-carboxamide
PubChem CID122263300
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC Name2,4-dimethyl-N-[(6-methylpyrimidin-4-yl)methyl]-1,3-thiazole-5-carboxamide
SMILESCc1cc(CNC(=O)c2sc(C)nc2C)ncn1
InChIInChI=1S/C12H14N4OS/c1-7-4-10(15-6-14-7)5-13-12(17)11-8(2)16-9(3)18-11/h4,6H,5H2,1-3H3,(H,13,17)
InChIKeyNXXSFEZIIQFXPJ-UHFFFAOYSA-N
XLogP1.79
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[(6-methylpyrimidin-4-yl)methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2,4-dimethyl-N-[(6-methylpyrimidin-4-yl)methyl]-1,3-thiazole-5-carboxamide (CID 122263300) is 2,4-dimethyl-N-[(6-methylpyrimidin-4-yl)methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-[(6-methylpyrimidin-4-yl)methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-[(6-methylpyrimidin-4-yl)methyl]-1,3-thiazole-5-carboxamide is Cc1cc(CNC(=O)c2sc(C)nc2C)ncn1.
What is the InChIKey of 2,4-dimethyl-N-[(6-methylpyrimidin-4-yl)methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is NXXSFEZIIQFXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c1-7-4-10(15-6-14-7)5-13-12(17)11-8(2)16-9(3)18-11/h4,6H,5H2,1-3H3,(H,13,17).
What are the key properties of 2,4-dimethyl-N-[(6-methylpyrimidin-4-yl)methyl]-1,3-thiazole-5-carboxamide?
2,4-dimethyl-N-[(6-methylpyrimidin-4-yl)methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 262.34 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[(6-methylpyrimidin-4-yl)methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 122263300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).