2,2-dimethyl-5-[2-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]hydrazinyl]-5-oxopentanoic acid

C13H19N3O4S — CID 166385996

IUPAC2,2-dimethyl-5-[2-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]hydrazinyl]-5-oxopentanoic acid
SMILESCc1nc(CC(=O)NNC(=O)CCC(C)(C)C(=O)O)cs1
InChIInChI=1S/C13H19N3O4S/c1-8-14-9(7-21-8)6-11(18)16-15-10(17)4-5-13(2,3)12(19)20/h7H,4-6H2,1-3H3,(H,15,17)(H,16,18)(H,19,20)
InChIKeyJKLULJORVKGHBM-UHFFFAOYSA-N
MW313.38 g/mol
LogP1.03
Rot. Bonds6

About 2,2-dimethyl-5-[2-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]hydrazinyl]-5-oxopentanoic acid

2,2-dimethyl-5-[2-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]hydrazinyl]-5-oxopentanoic acid (PubChem CID 166385996) has the molecular formula C13H19N3O4S and a molecular weight of 313.38 g/mol. Its IUPAC name is 2,2-dimethyl-5-[2-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]hydrazinyl]-5-oxopentanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-5-[2-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]hydrazinyl]-5-oxopentanoic acid
PubChem CID166385996
Molecular FormulaC13H19N3O4S
Molecular Weight313.38 g/mol
Exact Mass313.11
IUPAC Name2,2-dimethyl-5-[2-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]hydrazinyl]-5-oxopentanoic acid
SMILESCc1nc(CC(=O)NNC(=O)CCC(C)(C)C(=O)O)cs1
InChIInChI=1S/C13H19N3O4S/c1-8-14-9(7-21-8)6-11(18)16-15-10(17)4-5-13(2,3)12(19)20/h7H,4-6H2,1-3H3,(H,15,17)(H,16,18)(H,19,20)
InChIKeyJKLULJORVKGHBM-UHFFFAOYSA-N
XLogP1.03
TPSA108.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2,2-dimethyl-5-[2-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]hydrazinyl]-5-oxopentanoic 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

1-ethyl-3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]thiourea
CID 8746565
N-methoxy-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 60716850
(2S)-2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
CID 51052302
methyl 2-methyl-2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]pentanoate
CID 43431437
3-methyl-2-[[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]methyl]butanoic acid
CID 65220312
N-(4-aminophenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 110483632
2,2-dimethyl-4-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoylamino]-4-oxobutanoic acid
CID 106035468
2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79798228
N-[3-(2,2-dimethylpropanoyl)thiophen-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 71875396
N,N-dimethyl-3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]propanamide
CID 55752087
N-(2,6-difluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 110463255
1-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]-3-[(1S)-1-phenylbutyl]urea
CID 51935294

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-[2-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]hydrazinyl]-5-oxopentanoic acid?
The IUPAC name of 2,2-dimethyl-5-[2-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]hydrazinyl]-5-oxopentanoic acid (CID 166385996) is 2,2-dimethyl-5-[2-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]hydrazinyl]-5-oxopentanoic acid.
What is the SMILES notation for 2,2-dimethyl-5-[2-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]hydrazinyl]-5-oxopentanoic acid?
The canonical SMILES for 2,2-dimethyl-5-[2-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]hydrazinyl]-5-oxopentanoic acid is Cc1nc(CC(=O)NNC(=O)CCC(C)(C)C(=O)O)cs1.
What is the InChIKey of 2,2-dimethyl-5-[2-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]hydrazinyl]-5-oxopentanoic acid?
The InChIKey is JKLULJORVKGHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4S/c1-8-14-9(7-21-8)6-11(18)16-15-10(17)4-5-13(2,3)12(19)20/h7H,4-6H2,1-3H3,(H,15,17)(H,16,18)(H,19,20).
What are the key properties of 2,2-dimethyl-5-[2-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]hydrazinyl]-5-oxopentanoic acid?
2,2-dimethyl-5-[2-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]hydrazinyl]-5-oxopentanoic acid has a molecular weight of 313.38 g/mol, XLogP of 1.03, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-[2-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]hydrazinyl]-5-oxopentanoic acid is sourced from PubChem (CID 166385996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).