5-methyl-2-[(2-methylpyrimidin-4-yl)methylamino]-1,3-thiazole-4-carboxylic acid

C11H12N4O2S — CID 115423761

IUPAC5-methyl-2-[(2-methylpyrimidin-4-yl)methylamino]-1,3-thiazole-4-carboxylic acid
SMILESCc1nccc(CNc2nc(C(=O)O)c(C)s2)n1
InChIInChI=1S/C11H12N4O2S/c1-6-9(10(16)17)15-11(18-6)13-5-8-3-4-12-7(2)14-8/h3-4H,5H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyLSVNSQSNFLCDRZ-UHFFFAOYSA-N
MW264.31 g/mol
LogP1.86
Rot. Bonds4

About 5-methyl-2-[(2-methylpyrimidin-4-yl)methylamino]-1,3-thiazole-4-carboxylic acid

5-methyl-2-[(2-methylpyrimidin-4-yl)methylamino]-1,3-thiazole-4-carboxylic acid (PubChem CID 115423761) has the molecular formula C11H12N4O2S and a molecular weight of 264.31 g/mol. Its IUPAC name is 5-methyl-2-[(2-methylpyrimidin-4-yl)methylamino]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-methyl-2-[(2-methylpyrimidin-4-yl)methylamino]-1,3-thiazole-4-carboxylic acid
PubChem CID115423761
Molecular FormulaC11H12N4O2S
Molecular Weight264.31 g/mol
Exact Mass264.07
IUPAC Name5-methyl-2-[(2-methylpyrimidin-4-yl)methylamino]-1,3-thiazole-4-carboxylic acid
SMILESCc1nccc(CNc2nc(C(=O)O)c(C)s2)n1
InChIInChI=1S/C11H12N4O2S/c1-6-9(10(16)17)15-11(18-6)13-5-8-3-4-12-7(2)14-8/h3-4H,5H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyLSVNSQSNFLCDRZ-UHFFFAOYSA-N
XLogP1.86
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-methyl-2-[(2-methylpyrimidin-4-yl)methylamino]-1,3-thiazole-4-carboxylate
CID 116526595
5-methyl-2-(1,2-oxazol-3-ylmethylamino)-1,3-thiazole-4-carboxylic acid
CID 115424938
3-[(2-methylpyrimidin-4-yl)methylamino]pyrazine-2-carboxylic acid
CID 62711849
5-methyl-2-[(3-methylthiophen-2-yl)methylamino]-1,3-thiazole-4-carboxylic acid
CID 115424902
2-[(2-chlorophenyl)methylamino]-5-methyl-1,3-thiazole-4-carboxylic acid
CID 113306604
2-[(6-methoxy-3-pyridinyl)methylamino]-5-methyl-1,3-thiazole-4-carboxylic acid
CID 113307111
3-methyl-5-[(2-methylpyrimidin-4-yl)methylamino]-1,2-thiazole-4-carboxylic acid
CID 79401986
2,2-dimethyl-3-[(2-methylpyrimidin-4-yl)methylamino]-3-oxopropanoic acid
CID 82821483
2-[(4-bromothiophen-2-yl)methylamino]-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115424738
5-methyl-2-[[2-(trifluoromethyl)phenyl]methylamino]-1,3-thiazole-4-carboxylic acid
CID 115424282
2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-5-methyl-1,3-thiazole-4-carboxylic acid
CID 106378320
N-[(2-methylpyrimidin-4-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine
CID 79507389

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(2-methylpyrimidin-4-yl)methylamino]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-methyl-2-[(2-methylpyrimidin-4-yl)methylamino]-1,3-thiazole-4-carboxylic acid (CID 115423761) is 5-methyl-2-[(2-methylpyrimidin-4-yl)methylamino]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-methyl-2-[(2-methylpyrimidin-4-yl)methylamino]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-methyl-2-[(2-methylpyrimidin-4-yl)methylamino]-1,3-thiazole-4-carboxylic acid is Cc1nccc(CNc2nc(C(=O)O)c(C)s2)n1.
What is the InChIKey of 5-methyl-2-[(2-methylpyrimidin-4-yl)methylamino]-1,3-thiazole-4-carboxylic acid?
The InChIKey is LSVNSQSNFLCDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2S/c1-6-9(10(16)17)15-11(18-6)13-5-8-3-4-12-7(2)14-8/h3-4H,5H2,1-2H3,(H,13,15)(H,16,17).
What are the key properties of 5-methyl-2-[(2-methylpyrimidin-4-yl)methylamino]-1,3-thiazole-4-carboxylic acid?
5-methyl-2-[(2-methylpyrimidin-4-yl)methylamino]-1,3-thiazole-4-carboxylic acid has a molecular weight of 264.31 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[(2-methylpyrimidin-4-yl)methylamino]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 115423761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).