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

C11H12N4OS — CID 122263537

IUPAC4-methyl-N-[(6-methylpyrimidin-4-yl)methyl]-1,3-thiazole-5-carboxamide
SMILESCc1cc(CNC(=O)c2scnc2C)ncn1
InChIInChI=1S/C11H12N4OS/c1-7-3-9(14-5-13-7)4-12-11(16)10-8(2)15-6-17-10/h3,5-6H,4H2,1-2H3,(H,12,16)
InChIKeyBNWNVVZELCQDQH-UHFFFAOYSA-N
MW248.31 g/mol
LogP1.48
Rot. Bonds3

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

4-methyl-N-[(6-methylpyrimidin-4-yl)methyl]-1,3-thiazole-5-carboxamide (PubChem CID 122263537) has the molecular formula C11H12N4OS and a molecular weight of 248.31 g/mol. Its IUPAC name is 4-methyl-N-[(6-methylpyrimidin-4-yl)methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[(6-methylpyrimidin-4-yl)methyl]-1,3-thiazole-5-carboxamide
PubChem CID122263537
Molecular FormulaC11H12N4OS
Molecular Weight248.31 g/mol
Exact Mass248.07
IUPAC Name4-methyl-N-[(6-methylpyrimidin-4-yl)methyl]-1,3-thiazole-5-carboxamide
SMILESCc1cc(CNC(=O)c2scnc2C)ncn1
InChIInChI=1S/C11H12N4OS/c1-7-3-9(14-5-13-7)4-12-11(16)10-8(2)15-6-17-10/h3,5-6H,4H2,1-2H3,(H,12,16)
InChIKeyBNWNVVZELCQDQH-UHFFFAOYSA-N
XLogP1.48
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(6-methylpyrimidin-4-yl)methyl]acetamide
CID 122263436
N-[[4-(aminomethyl)phenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 81090222
N-[(4-bromothiophen-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 47291490
4-methyl-N-[(6-methylpyrimidin-4-yl)methyl]-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 122263393
N-[(4-aminophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 60891064
2-methyl-N-[(6-methylpyrimidin-4-yl)methyl]benzamide
CID 70846240
N-(2-amino-2-methylpropyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 81482463
2,2,2-trifluoro-N-[(6-methylpyrimidin-4-yl)methyl]acetamide
CID 122263474
4-methyl-N-(2-methylprop-2-enyl)-1,3-thiazole-5-carboxamide
CID 114618761
N-butyl-4-methyl-1,3-thiazole-5-carboxamide
CID 110848200
2,6-dimethoxy-N-[(6-methylpyrimidin-4-yl)methyl]benzamide
CID 122263254
N-[(5-chlorothiophen-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 47208477

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(6-methylpyrimidin-4-yl)methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[(6-methylpyrimidin-4-yl)methyl]-1,3-thiazole-5-carboxamide (CID 122263537) is 4-methyl-N-[(6-methylpyrimidin-4-yl)methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[(6-methylpyrimidin-4-yl)methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[(6-methylpyrimidin-4-yl)methyl]-1,3-thiazole-5-carboxamide is Cc1cc(CNC(=O)c2scnc2C)ncn1.
What is the InChIKey of 4-methyl-N-[(6-methylpyrimidin-4-yl)methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is BNWNVVZELCQDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4OS/c1-7-3-9(14-5-13-7)4-12-11(16)10-8(2)15-6-17-10/h3,5-6H,4H2,1-2H3,(H,12,16).
What are the key properties of 4-methyl-N-[(6-methylpyrimidin-4-yl)methyl]-1,3-thiazole-5-carboxamide?
4-methyl-N-[(6-methylpyrimidin-4-yl)methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 248.31 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(6-methylpyrimidin-4-yl)methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 122263537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).