5-methyl-2-[[2-oxo-2-(propylamino)ethyl]amino]-1,3-thiazole-4-carboxylic acid

C10H15N3O3S — CID 115423595

IUPAC5-methyl-2-[[2-oxo-2-(propylamino)ethyl]amino]-1,3-thiazole-4-carboxylic acid
SMILESCCCNC(=O)CNc1nc(C(=O)O)c(C)s1
InChIInChI=1S/C10H15N3O3S/c1-3-4-11-7(14)5-12-10-13-8(9(15)16)6(2)17-10/h3-5H2,1-2H3,(H,11,14)(H,12,13)(H,15,16)
InChIKeyCJYBHJFOPHUCQG-UHFFFAOYSA-N
MW257.31 g/mol
LogP1.09
Rot. Bonds6

About 5-methyl-2-[[2-oxo-2-(propylamino)ethyl]amino]-1,3-thiazole-4-carboxylic acid

5-methyl-2-[[2-oxo-2-(propylamino)ethyl]amino]-1,3-thiazole-4-carboxylic acid (PubChem CID 115423595) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is 5-methyl-2-[[2-oxo-2-(propylamino)ethyl]amino]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-methyl-2-[[2-oxo-2-(propylamino)ethyl]amino]-1,3-thiazole-4-carboxylic acid
PubChem CID115423595
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Name5-methyl-2-[[2-oxo-2-(propylamino)ethyl]amino]-1,3-thiazole-4-carboxylic acid
SMILESCCCNC(=O)CNc1nc(C(=O)O)c(C)s1
InChIInChI=1S/C10H15N3O3S/c1-3-4-11-7(14)5-12-10-13-8(9(15)16)6(2)17-10/h3-5H2,1-2H3,(H,11,14)(H,12,13)(H,15,16)
InChIKeyCJYBHJFOPHUCQG-UHFFFAOYSA-N
XLogP1.09
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-ethoxy-2-oxoethyl)amino]-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115423658
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-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-N-propylacetamide
CID 65271224
5-methyl-2-(4,4,4-trifluorobutylamino)-1,3-thiazole-4-carboxylic acid
CID 115523007
2-[[3-(cyclopropylamino)-3-oxopropyl]amino]-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115424822
2-(tert-butylamino)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115423000
methyl 5-methyl-2-[[2-(methylamino)-2-oxoethyl]amino]-1,3-thiazole-4-carboxylate
CID 115423500
5-methyl-2-(propylaminomethyl)-1,3-thiazole-4-carboxylic acid
CID 115422064
2-(cyclopentylmethylamino)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115423521
2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-N-propylacetamide
CID 79144613
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 5-methyl-2-[[2-oxo-2-(propylamino)ethyl]amino]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-methyl-2-[[2-oxo-2-(propylamino)ethyl]amino]-1,3-thiazole-4-carboxylic acid (CID 115423595) is 5-methyl-2-[[2-oxo-2-(propylamino)ethyl]amino]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-methyl-2-[[2-oxo-2-(propylamino)ethyl]amino]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-methyl-2-[[2-oxo-2-(propylamino)ethyl]amino]-1,3-thiazole-4-carboxylic acid is CCCNC(=O)CNc1nc(C(=O)O)c(C)s1.
What is the InChIKey of 5-methyl-2-[[2-oxo-2-(propylamino)ethyl]amino]-1,3-thiazole-4-carboxylic acid?
The InChIKey is CJYBHJFOPHUCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-3-4-11-7(14)5-12-10-13-8(9(15)16)6(2)17-10/h3-5H2,1-2H3,(H,11,14)(H,12,13)(H,15,16).
What are the key properties of 5-methyl-2-[[2-oxo-2-(propylamino)ethyl]amino]-1,3-thiazole-4-carboxylic acid?
5-methyl-2-[[2-oxo-2-(propylamino)ethyl]amino]-1,3-thiazole-4-carboxylic acid has a molecular weight of 257.31 g/mol, XLogP of 1.09, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[[2-oxo-2-(propylamino)ethyl]amino]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 115423595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).