2-(1-methoxybutan-2-ylamino)-5-methyl-1,3-thiazole-4-carboxylic acid

C10H16N2O3S — CID 115424657

IUPAC2-(1-methoxybutan-2-ylamino)-5-methyl-1,3-thiazole-4-carboxylic acid
SMILESCCC(COC)Nc1nc(C(=O)O)c(C)s1
InChIInChI=1S/C10H16N2O3S/c1-4-7(5-15-3)11-10-12-8(9(13)14)6(2)16-10/h7H,4-5H2,1-3H3,(H,11,12)(H,13,14)
InChIKeyXLHXSJVCCKZKDJ-UHFFFAOYSA-N
MW244.32 g/mol
LogP1.99
Rot. Bonds6

About 2-(1-methoxybutan-2-ylamino)-5-methyl-1,3-thiazole-4-carboxylic acid

2-(1-methoxybutan-2-ylamino)-5-methyl-1,3-thiazole-4-carboxylic acid (PubChem CID 115424657) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is 2-(1-methoxybutan-2-ylamino)-5-methyl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(1-methoxybutan-2-ylamino)-5-methyl-1,3-thiazole-4-carboxylic acid
PubChem CID115424657
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC Name2-(1-methoxybutan-2-ylamino)-5-methyl-1,3-thiazole-4-carboxylic acid
SMILESCCC(COC)Nc1nc(C(=O)O)c(C)s1
InChIInChI=1S/C10H16N2O3S/c1-4-7(5-15-3)11-10-12-8(9(13)14)6(2)16-10/h7H,4-5H2,1-3H3,(H,11,12)(H,13,14)
InChIKeyXLHXSJVCCKZKDJ-UHFFFAOYSA-N
XLogP1.99
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(1-methoxybutan-2-ylamino)-5-methyl-1,3-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

2-[(1-methoxy-3-methylbutan-2-yl)amino]-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115424684
5-methyl-2-(1-phenylpropylamino)-1,3-thiazole-4-carboxylic acid
CID 113307049
N-(1-methoxybutan-2-yl)-5-methyl-1,3,4-thiadiazol-2-amine
CID 65209050
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
5-methyl-2-(6-methylheptan-2-ylamino)-1,3-thiazole-4-carboxylic acid
CID 115424136
2-[(2-ethoxy-2-oxoethyl)amino]-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115423658
5-(1-methoxybutan-2-ylamino)-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79403018
2-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methoxypropane-1,2-diamine
CID 106181682
2-N-(1-methoxybutan-2-yl)-1,3-thiazole-2,5-diamine
CID 102768548
N-(1-methoxybutan-2-yl)-6-methyl-1,3-benzothiazol-2-amine
CID 79143101
2-(tert-butylamino)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115423000

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxybutan-2-ylamino)-5-methyl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(1-methoxybutan-2-ylamino)-5-methyl-1,3-thiazole-4-carboxylic acid (CID 115424657) is 2-(1-methoxybutan-2-ylamino)-5-methyl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(1-methoxybutan-2-ylamino)-5-methyl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(1-methoxybutan-2-ylamino)-5-methyl-1,3-thiazole-4-carboxylic acid is CCC(COC)Nc1nc(C(=O)O)c(C)s1.
What is the InChIKey of 2-(1-methoxybutan-2-ylamino)-5-methyl-1,3-thiazole-4-carboxylic acid?
The InChIKey is XLHXSJVCCKZKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S/c1-4-7(5-15-3)11-10-12-8(9(13)14)6(2)16-10/h7H,4-5H2,1-3H3,(H,11,12)(H,13,14).
What are the key properties of 2-(1-methoxybutan-2-ylamino)-5-methyl-1,3-thiazole-4-carboxylic acid?
2-(1-methoxybutan-2-ylamino)-5-methyl-1,3-thiazole-4-carboxylic acid has a molecular weight of 244.32 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxybutan-2-ylamino)-5-methyl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 115424657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).