4-amino-5-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]-5-oxopentanoic acid

C11H17N3O3S — CID 64888760

IUPAC4-amino-5-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]-5-oxopentanoic acid
SMILESCCc1nc(NC(=O)C(N)CCC(=O)O)sc1C
InChIInChI=1S/C11H17N3O3S/c1-3-8-6(2)18-11(13-8)14-10(17)7(12)4-5-9(15)16/h7H,3-5,12H2,1-2H3,(H,15,16)(H,13,14,17)
InChIKeyKPTJOZMGDFGXBS-UHFFFAOYSA-N
MW271.34 g/mol
LogP1.14
Rot. Bonds6

About 4-amino-5-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]-5-oxopentanoic acid

4-amino-5-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]-5-oxopentanoic acid (PubChem CID 64888760) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 4-amino-5-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name4-amino-5-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]-5-oxopentanoic acid
PubChem CID64888760
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name4-amino-5-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]-5-oxopentanoic acid
SMILESCCc1nc(NC(=O)C(N)CCC(=O)O)sc1C
InChIInChI=1S/C11H17N3O3S/c1-3-8-6(2)18-11(13-8)14-10(17)7(12)4-5-9(15)16/h7H,3-5,12H2,1-2H3,(H,15,16)(H,13,14,17)
InChIKeyKPTJOZMGDFGXBS-UHFFFAOYSA-N
XLogP1.14
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide
CID 61474780
2-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-phenylacetamide
CID 61474639
2-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-phenylacetamide;hydrochloride
CID 119295899
2-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)pentanamide;hydrochloride
CID 119269701
3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)butanamide;hydrochloride
CID 119735313
3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-phenylpropanamide;hydrochloride
CID 119735287
2-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)butanamide
CID 61467509
2-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methylpropanamide;hydrochloride
CID 119295888
propan-2-yl N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamate
CID 116654722
2-cyano-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-phenylacetamide
CID 62877198
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-hydroxy-2-methylpropanamide
CID 104936659
2-amino-N-[2-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]acetamide
CID 54953528

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]-5-oxopentanoic acid?
The IUPAC name of 4-amino-5-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]-5-oxopentanoic acid (CID 64888760) is 4-amino-5-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 4-amino-5-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]-5-oxopentanoic acid?
The canonical SMILES for 4-amino-5-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]-5-oxopentanoic acid is CCc1nc(NC(=O)C(N)CCC(=O)O)sc1C.
What is the InChIKey of 4-amino-5-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]-5-oxopentanoic acid?
The InChIKey is KPTJOZMGDFGXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-3-8-6(2)18-11(13-8)14-10(17)7(12)4-5-9(15)16/h7H,3-5,12H2,1-2H3,(H,15,16)(H,13,14,17).
What are the key properties of 4-amino-5-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]-5-oxopentanoic acid?
4-amino-5-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]-5-oxopentanoic acid has a molecular weight of 271.34 g/mol, XLogP of 1.14, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 64888760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).