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

C10H16N2O3S — CID 115423281

IUPAC2-(3-ethoxypropylamino)-5-methyl-1,3-thiazole-4-carboxylic acid
SMILESCCOCCCNc1nc(C(=O)O)c(C)s1
InChIInChI=1S/C10H16N2O3S/c1-3-15-6-4-5-11-10-12-8(9(13)14)7(2)16-10/h3-6H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyKVDZBVHMYJFWRY-UHFFFAOYSA-N
MW244.32 g/mol
LogP1.99
Rot. Bonds7

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

2-(3-ethoxypropylamino)-5-methyl-1,3-thiazole-4-carboxylic acid (PubChem CID 115423281) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is 2-(3-ethoxypropylamino)-5-methyl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(3-ethoxypropylamino)-5-methyl-1,3-thiazole-4-carboxylic acid
PubChem CID115423281
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC Name2-(3-ethoxypropylamino)-5-methyl-1,3-thiazole-4-carboxylic acid
SMILESCCOCCCNc1nc(C(=O)O)c(C)s1
InChIInChI=1S/C10H16N2O3S/c1-3-15-6-4-5-11-10-12-8(9(13)14)7(2)16-10/h3-6H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyKVDZBVHMYJFWRY-UHFFFAOYSA-N
XLogP1.99
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-methyl-2-(4,4,4-trifluorobutylamino)-1,3-thiazole-4-carboxylic acid
CID 115523007
2-[(2-ethoxy-2-oxoethyl)amino]-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115423658
2-(3-ethoxypropylamino)-1,3-thiazole-5-carboxylic acid
CID 80571694
N-[4-[2-(3-ethoxypropylamino)-5-methyl-1,3-thiazol-4-yl]phenyl]acetamide
CID 9232326
2-(cyclopentylmethylamino)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115423521
5-methyl-2-[[2-oxo-2-(propylamino)ethyl]amino]-1,3-thiazole-4-carboxylic acid
CID 115423595
2-[[3-(cyclopropylamino)-3-oxopropyl]amino]-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115424822
ethyl 5-methyl-2-[3-[methyl(propan-2-yl)amino]propylamino]-1,3-thiazole-4-carboxylate
CID 106044664
2-[2-(3-methoxyphenyl)ethylamino]-5-methyl-1,3-thiazole-4-carboxylic acid
CID 107856368
ethyl 2-(cyclopropylmethylamino)-5-methyl-1,3-thiazole-4-carboxylate
CID 116526353
2-[2-(3-ethoxypropylamino)-1,3-thiazol-4-yl]acetic acid
CID 16642038
2-[2-(3,5-difluorophenyl)ethylamino]-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115424262

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxypropylamino)-5-methyl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(3-ethoxypropylamino)-5-methyl-1,3-thiazole-4-carboxylic acid (CID 115423281) is 2-(3-ethoxypropylamino)-5-methyl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(3-ethoxypropylamino)-5-methyl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(3-ethoxypropylamino)-5-methyl-1,3-thiazole-4-carboxylic acid is CCOCCCNc1nc(C(=O)O)c(C)s1.
What is the InChIKey of 2-(3-ethoxypropylamino)-5-methyl-1,3-thiazole-4-carboxylic acid?
The InChIKey is KVDZBVHMYJFWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S/c1-3-15-6-4-5-11-10-12-8(9(13)14)7(2)16-10/h3-6H2,1-2H3,(H,11,12)(H,13,14).
What are the key properties of 2-(3-ethoxypropylamino)-5-methyl-1,3-thiazole-4-carboxylic acid?
2-(3-ethoxypropylamino)-5-methyl-1,3-thiazole-4-carboxylic acid has a molecular weight of 244.32 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxypropylamino)-5-methyl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 115423281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).