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

C11H13N3O3S — CID 79402383

IUPAC5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
SMILESCc1noc(C)c1CNc1snc(C)c1C(=O)O
InChIInChI=1S/C11H13N3O3S/c1-5-8(7(3)17-13-5)4-12-10-9(11(15)16)6(2)14-18-10/h12H,4H2,1-3H3,(H,15,16)
InChIKeyZJTUUNPTHLDTKT-UHFFFAOYSA-N
MW267.31 g/mol
LogP2.37
Rot. Bonds4

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

5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid (PubChem CID 79402383) has the molecular formula C11H13N3O3S and a molecular weight of 267.31 g/mol. Its IUPAC name is 5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
PubChem CID79402383
Molecular FormulaC11H13N3O3S
Molecular Weight267.31 g/mol
Exact Mass267.07
IUPAC Name5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
SMILESCc1noc(C)c1CNc1snc(C)c1C(=O)O
InChIInChI=1S/C11H13N3O3S/c1-5-8(7(3)17-13-5)4-12-10-9(11(15)16)6(2)14-18-10/h12H,4H2,1-3H3,(H,15,16)
InChIKeyZJTUUNPTHLDTKT-UHFFFAOYSA-N
XLogP2.37
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N-methyl-1,2-thiazole-4-carboxamide
CID 103378181
3-methyl-5-[(1,3,5-trimethylpyrazol-4-yl)methylamino]-1,2-thiazole-4-carboxylic acid
CID 79401995
3-methyl-5-(1,2-oxazol-3-ylmethylamino)-1,2-thiazole-4-carboxylic acid
CID 81173910
5-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine
CID 103378174
2-amino-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-fluorobenzoic acid
CID 83207625
5-[2-(dimethylamino)ethylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79402590
3-methyl-5-[(2-methylpyrimidin-4-yl)methylamino]-1,2-thiazole-4-carboxylic acid
CID 79401986
5-[(3,4-dimethoxyphenyl)methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79397195
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]pyridine-4-carboxylic acid
CID 79242317
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107305036
5-[(3-amino-3-methylbutanoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79402261
2-amino-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]benzoic acid
CID 113419845

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid?
The IUPAC name of 5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid (CID 79402383) is 5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid?
The canonical SMILES for 5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid is Cc1noc(C)c1CNc1snc(C)c1C(=O)O.
What is the InChIKey of 5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid?
The InChIKey is ZJTUUNPTHLDTKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S/c1-5-8(7(3)17-13-5)4-12-10-9(11(15)16)6(2)14-18-10/h12H,4H2,1-3H3,(H,15,16).
What are the key properties of 5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid?
5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid has a molecular weight of 267.31 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid is sourced from PubChem (CID 79402383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).