2-[methyl-[(2-methylpropan-2-yl)oxy]amino]-1,3-thiazole-4-carboxylic acid

C9H14N2O3S — CID 165351685

IUPAC2-[methyl-[(2-methylpropan-2-yl)oxy]amino]-1,3-thiazole-4-carboxylic acid
SMILESCN(OC(C)(C)C)c1nc(C(=O)O)cs1
InChIInChI=1S/C9H14N2O3S/c1-9(2,3)14-11(4)8-10-6(5-15-8)7(12)13/h5H,1-4H3,(H,12,13)
InChIKeyPEIXYDYORPZGAT-UHFFFAOYSA-N
MW230.29 g/mol
LogP2.01
Rot. Bonds3

About 2-[methyl-[(2-methylpropan-2-yl)oxy]amino]-1,3-thiazole-4-carboxylic acid

2-[methyl-[(2-methylpropan-2-yl)oxy]amino]-1,3-thiazole-4-carboxylic acid (PubChem CID 165351685) has the molecular formula C9H14N2O3S and a molecular weight of 230.29 g/mol. Its IUPAC name is 2-[methyl-[(2-methylpropan-2-yl)oxy]amino]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[methyl-[(2-methylpropan-2-yl)oxy]amino]-1,3-thiazole-4-carboxylic acid
PubChem CID165351685
Molecular FormulaC9H14N2O3S
Molecular Weight230.29 g/mol
Exact Mass230.07
IUPAC Name2-[methyl-[(2-methylpropan-2-yl)oxy]amino]-1,3-thiazole-4-carboxylic acid
SMILESCN(OC(C)(C)C)c1nc(C(=O)O)cs1
InChIInChI=1S/C9H14N2O3S/c1-9(2,3)14-11(4)8-10-6(5-15-8)7(12)13/h5H,1-4H3,(H,12,13)
InChIKeyPEIXYDYORPZGAT-UHFFFAOYSA-N
XLogP2.01
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[methyl(pentan-2-yl)amino]-1,3-thiazole-4-carboxylic acid
CID 80568901
2-[but-2-ynoyl(methyl)amino]-1,3-thiazole-4-carboxylic acid
CID 127020702
2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-1,3-thiazole-4-carboxylic acid
CID 70845902
2-(2-fluoro-N-methylanilino)-1,3-thiazole-4-carboxylic acid
CID 80568925
2-(4-cyano-N-methylanilino)-1,3-thiazole-4-carboxylic acid
CID 80568771
2-[bis(2-methylpropyl)amino]-1,3-thiazole-4-carboxylic acid
CID 80569265
2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-4-carboxylic acid
CID 80568911
2-[methyl(oxan-4-yl)amino]-1,3-thiazole-4-carboxylic acid
CID 80569084
2-[4-[tert-butyl(dimethyl)silyl]oxybutyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-1,3-thiazole-4-carboxylic acid
CID 175572842
2-[methyl-[[4-(trifluoromethoxy)phenyl]carbamoyl]amino]-1,3-thiazole-4-carboxylic acid
CID 90292024
2-[2-methoxyethyl(3-methoxypropyl)amino]-1,3-thiazole-4-carboxylic acid
CID 80568985
2-(3-methoxypentan-3-yl)-1,3-thiazole-4-carboxylic acid
CID 116744386

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(2-methylpropan-2-yl)oxy]amino]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[methyl-[(2-methylpropan-2-yl)oxy]amino]-1,3-thiazole-4-carboxylic acid (CID 165351685) is 2-[methyl-[(2-methylpropan-2-yl)oxy]amino]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[methyl-[(2-methylpropan-2-yl)oxy]amino]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[methyl-[(2-methylpropan-2-yl)oxy]amino]-1,3-thiazole-4-carboxylic acid is CN(OC(C)(C)C)c1nc(C(=O)O)cs1.
What is the InChIKey of 2-[methyl-[(2-methylpropan-2-yl)oxy]amino]-1,3-thiazole-4-carboxylic acid?
The InChIKey is PEIXYDYORPZGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3S/c1-9(2,3)14-11(4)8-10-6(5-15-8)7(12)13/h5H,1-4H3,(H,12,13).
What are the key properties of 2-[methyl-[(2-methylpropan-2-yl)oxy]amino]-1,3-thiazole-4-carboxylic acid?
2-[methyl-[(2-methylpropan-2-yl)oxy]amino]-1,3-thiazole-4-carboxylic acid has a molecular weight of 230.29 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(2-methylpropan-2-yl)oxy]amino]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 165351685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).