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

C10H11N3O3S — CID 103243341

IUPAC5-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]-1,2-oxazole-3-carboxylic acid
SMILESCc1nc(CNCc2cc(C(=O)O)no2)cs1
InChIInChI=1S/C10H11N3O3S/c1-6-12-7(5-17-6)3-11-4-8-2-9(10(14)15)13-16-8/h2,5,11H,3-4H2,1H3,(H,14,15)
InChIKeyHYERYXXZMZDEOZ-UHFFFAOYSA-N
MW253.28 g/mol
LogP1.43
Rot. Bonds5

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

5-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]-1,2-oxazole-3-carboxylic acid (PubChem CID 103243341) has the molecular formula C10H11N3O3S and a molecular weight of 253.28 g/mol. Its IUPAC name is 5-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]-1,2-oxazole-3-carboxylic acid
PubChem CID103243341
Molecular FormulaC10H11N3O3S
Molecular Weight253.28 g/mol
Exact Mass253.05
IUPAC Name5-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]-1,2-oxazole-3-carboxylic acid
SMILESCc1nc(CNCc2cc(C(=O)O)no2)cs1
InChIInChI=1S/C10H11N3O3S/c1-6-12-7(5-17-6)3-11-4-8-2-9(10(14)15)13-16-8/h2,5,11H,3-4H2,1H3,(H,14,15)
InChIKeyHYERYXXZMZDEOZ-UHFFFAOYSA-N
XLogP1.43
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]-1,2-oxazole-3-carboxylic acid
CID 103243727
6-[[(3-methyl-1,2-oxazol-5-yl)methylamino]methyl]pyridine-2-carboxylic acid
CID 106904607
5-[(2-hydroxyethylamino)methyl]-1,2-oxazole-3-carboxylic acid
CID 103238258
5-[(pyridazin-3-ylmethylamino)methyl]-1,2-oxazole-3-carboxylic acid
CID 106896708
5-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]methyl]-1,2-oxazole-3-carboxylic acid
CID 114186501
5-[[(5-chlorothiophen-2-yl)methylamino]methyl]-1,2-oxazole-3-carboxylic acid
CID 103254641
5-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]-1,2-oxazole-3-carboxylic acid
CID 103238431
5-[[(2-hydroxy-3-methylbutyl)amino]methyl]-1,2-oxazole-3-carboxylic acid
CID 103264279
5-[(4-hydroxybutylamino)methyl]-1,2-oxazole-3-carboxylic acid
CID 106842840
(Z)-2,3-dimethyl-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]-4-oxobut-2-enoic acid
CID 55169840
5-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]-1,2-oxazole-3-carboxylic acid
CID 103242811
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(2,4,5-trimethylphenyl)methanamine
CID 60960559

Frequently Asked Questions

What is the IUPAC name of 5-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]-1,2-oxazole-3-carboxylic acid (CID 103243341) is 5-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]-1,2-oxazole-3-carboxylic acid is Cc1nc(CNCc2cc(C(=O)O)no2)cs1.
What is the InChIKey of 5-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]-1,2-oxazole-3-carboxylic acid?
The InChIKey is HYERYXXZMZDEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3S/c1-6-12-7(5-17-6)3-11-4-8-2-9(10(14)15)13-16-8/h2,5,11H,3-4H2,1H3,(H,14,15).
What are the key properties of 5-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]-1,2-oxazole-3-carboxylic acid?
5-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]-1,2-oxazole-3-carboxylic acid has a molecular weight of 253.28 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 103243341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).