methyl 4-[methyl-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]butanoate

C12H19N3O3S — CID 62013090

IUPACmethyl 4-[methyl-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]butanoate
SMILESCOC(=O)CCCN(C)CC(=O)Nc1nc(C)cs1
InChIInChI=1S/C12H19N3O3S/c1-9-8-19-12(13-9)14-10(16)7-15(2)6-4-5-11(17)18-3/h8H,4-7H2,1-3H3,(H,13,14,16)
InChIKeyVWQPXFOCGDEPAQ-UHFFFAOYSA-N
MW285.37 g/mol
LogP1.28
Rot. Bonds7

About methyl 4-[methyl-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]butanoate

methyl 4-[methyl-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]butanoate (PubChem CID 62013090) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is methyl 4-[methyl-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]butanoate.

Molecular Properties

Compound Namemethyl 4-[methyl-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]butanoate
PubChem CID62013090
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Namemethyl 4-[methyl-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]butanoate
SMILESCOC(=O)CCCN(C)CC(=O)Nc1nc(C)cs1
InChIInChI=1S/C12H19N3O3S/c1-9-8-19-12(13-9)14-10(16)7-15(2)6-4-5-11(17)18-3/h8H,4-7H2,1-3H3,(H,13,14,16)
InChIKeyVWQPXFOCGDEPAQ-UHFFFAOYSA-N
XLogP1.28
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-[methyl-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]butanoate with MolForge

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Related Compounds

2-[(3-amino-4-methylpentyl)-methylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 81491242
methyl 2-methyl-3-[methyl-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]propanoate
CID 62004523
methyl 4-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]-methylamino]butanoate
CID 62012696
2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide;hydrochloride
CID 119915081
2-[3-(dimethylamino)propylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 4088039
5-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)pentanamide
CID 79198899
methyl N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]carbamate
CID 47299980
N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-pentyldodecanamide
CID 42769910
N-[2-(dimethylamino)ethyl]-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]octanamide
CID 3558431
methyl 5-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]-5-oxopentanoate
CID 86792918
2-[2,2-dimethylpropyl(3-hydroxypropyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 111112405
N-(4-methyl-1,3-thiazol-2-yl)tetradecanamide
CID 139176889

Frequently Asked Questions

What is the IUPAC name of methyl 4-[methyl-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]butanoate?
The IUPAC name of methyl 4-[methyl-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]butanoate (CID 62013090) is methyl 4-[methyl-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]butanoate.
What is the SMILES notation for methyl 4-[methyl-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]butanoate?
The canonical SMILES for methyl 4-[methyl-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]butanoate is COC(=O)CCCN(C)CC(=O)Nc1nc(C)cs1.
What is the InChIKey of methyl 4-[methyl-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]butanoate?
The InChIKey is VWQPXFOCGDEPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-9-8-19-12(13-9)14-10(16)7-15(2)6-4-5-11(17)18-3/h8H,4-7H2,1-3H3,(H,13,14,16).
What are the key properties of methyl 4-[methyl-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]butanoate?
methyl 4-[methyl-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]butanoate has a molecular weight of 285.37 g/mol, XLogP of 1.28, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[methyl-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]butanoate is sourced from PubChem (CID 62013090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).