2-[(1-methoxy-3-methylbutan-2-yl)amino]-5-methyl-1,3-thiazole-4-carboxylic acid

C11H18N2O3S — CID 115424684

IUPAC2-[(1-methoxy-3-methylbutan-2-yl)amino]-5-methyl-1,3-thiazole-4-carboxylic acid
SMILESCOCC(Nc1nc(C(=O)O)c(C)s1)C(C)C
InChIInChI=1S/C11H18N2O3S/c1-6(2)8(5-16-4)12-11-13-9(10(14)15)7(3)17-11/h6,8H,5H2,1-4H3,(H,12,13)(H,14,15)
InChIKeyGSLGFWXZAGHMAO-UHFFFAOYSA-N
MW258.34 g/mol
LogP2.23
Rot. Bonds6

About 2-[(1-methoxy-3-methylbutan-2-yl)amino]-5-methyl-1,3-thiazole-4-carboxylic acid

2-[(1-methoxy-3-methylbutan-2-yl)amino]-5-methyl-1,3-thiazole-4-carboxylic acid (PubChem CID 115424684) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is 2-[(1-methoxy-3-methylbutan-2-yl)amino]-5-methyl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[(1-methoxy-3-methylbutan-2-yl)amino]-5-methyl-1,3-thiazole-4-carboxylic acid
PubChem CID115424684
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Name2-[(1-methoxy-3-methylbutan-2-yl)amino]-5-methyl-1,3-thiazole-4-carboxylic acid
SMILESCOCC(Nc1nc(C(=O)O)c(C)s1)C(C)C
InChIInChI=1S/C11H18N2O3S/c1-6(2)8(5-16-4)12-11-13-9(10(14)15)7(3)17-11/h6,8H,5H2,1-4H3,(H,12,13)(H,14,15)
InChIKeyGSLGFWXZAGHMAO-UHFFFAOYSA-N
XLogP2.23
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-methoxybutan-2-ylamino)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115424657
methyl 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-5-methyl-1,3-thiazole-4-carboxylate
CID 115423925
5-methyl-2-(6-methylheptan-2-ylamino)-1,3-thiazole-4-carboxylic acid
CID 115424136
2-[1-(4-fluorophenyl)propan-2-ylamino]-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115424374
2-(cyclopentylmethylamino)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115423521
5-methyl-2-(1-phenylpropylamino)-1,3-thiazole-4-carboxylic acid
CID 113307049
5-methyl-2-(propanoylamino)-1,3-thiazole-4-carboxylic acid
CID 117097221
2-(3-ethoxypropylamino)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115423281
2-(tert-butylamino)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115423000
2-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]-4,5-dimethylthiophene-3-carboxylic acid
CID 65048117
2-[(2-ethoxy-2-oxoethyl)amino]-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115423658
5-methyl-2-(1-pyridin-3-ylethylamino)-1,3-thiazole-4-carboxylic acid
CID 115423528

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methoxy-3-methylbutan-2-yl)amino]-5-methyl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[(1-methoxy-3-methylbutan-2-yl)amino]-5-methyl-1,3-thiazole-4-carboxylic acid (CID 115424684) is 2-[(1-methoxy-3-methylbutan-2-yl)amino]-5-methyl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[(1-methoxy-3-methylbutan-2-yl)amino]-5-methyl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[(1-methoxy-3-methylbutan-2-yl)amino]-5-methyl-1,3-thiazole-4-carboxylic acid is COCC(Nc1nc(C(=O)O)c(C)s1)C(C)C.
What is the InChIKey of 2-[(1-methoxy-3-methylbutan-2-yl)amino]-5-methyl-1,3-thiazole-4-carboxylic acid?
The InChIKey is GSLGFWXZAGHMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-6(2)8(5-16-4)12-11-13-9(10(14)15)7(3)17-11/h6,8H,5H2,1-4H3,(H,12,13)(H,14,15).
What are the key properties of 2-[(1-methoxy-3-methylbutan-2-yl)amino]-5-methyl-1,3-thiazole-4-carboxylic acid?
2-[(1-methoxy-3-methylbutan-2-yl)amino]-5-methyl-1,3-thiazole-4-carboxylic acid has a molecular weight of 258.34 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methoxy-3-methylbutan-2-yl)amino]-5-methyl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 115424684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).