methyl 5-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]-5-oxopentanoate

C11H16N2O3S — CID 86792918

IUPACmethyl 5-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]-5-oxopentanoate
SMILESCOC(=O)CCCC(=O)N(C)c1nc(C)cs1
InChIInChI=1S/C11H16N2O3S/c1-8-7-17-11(12-8)13(2)9(14)5-4-6-10(15)16-3/h7H,4-6H2,1-3H3
InChIKeyOSHWXDMUDSQCLT-UHFFFAOYSA-N
MW256.33 g/mol
LogP1.76
Rot. Bonds5

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

methyl 5-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]-5-oxopentanoate (PubChem CID 86792918) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is methyl 5-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]-5-oxopentanoate.

Molecular Properties

Compound Namemethyl 5-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]-5-oxopentanoate
PubChem CID86792918
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Namemethyl 5-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]-5-oxopentanoate
SMILESCOC(=O)CCCC(=O)N(C)c1nc(C)cs1
InChIInChI=1S/C11H16N2O3S/c1-8-7-17-11(12-8)13(2)9(14)5-4-6-10(15)16-3/h7H,4-6H2,1-3H3
InChIKeyOSHWXDMUDSQCLT-UHFFFAOYSA-N
XLogP1.76
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]acetate
CID 62007331
methyl 4-[(4-methyl-1,3-thiazol-2-yl)methylamino]butanoate
CID 61043385
methyl 4-[methyl-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]butanoate
CID 62013090
methyl 3-[2-(dimethylamino)-1,3-thiazol-4-yl]propanoate
CID 107039652
2-(2-chlorophenyl)-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 110723547
methyl 5-(dimethylamino)-5-oxopentanoate
CID 11615262
3-benzyl-1-methyl-1-(4-methyl-1,3-thiazol-2-yl)urea
CID 110748217
1-methyl-1-(4-methyl-1,3-thiazol-2-yl)-3-phenylurea
CID 110748214
2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]acetamide
CID 89133877
N-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 110723514
N-(4-methyl-1,3-thiazol-2-yl)-N-phenylhexanamide
CID 78778253
methyl 3-[2-[methyl(propyl)amino]-1,3-thiazol-4-yl]propanoate
CID 107039998

Frequently Asked Questions

What is the IUPAC name of methyl 5-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]-5-oxopentanoate?
The IUPAC name of methyl 5-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]-5-oxopentanoate (CID 86792918) is methyl 5-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]-5-oxopentanoate.
What is the SMILES notation for methyl 5-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]-5-oxopentanoate?
The canonical SMILES for methyl 5-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]-5-oxopentanoate is COC(=O)CCCC(=O)N(C)c1nc(C)cs1.
What is the InChIKey of methyl 5-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]-5-oxopentanoate?
The InChIKey is OSHWXDMUDSQCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-8-7-17-11(12-8)13(2)9(14)5-4-6-10(15)16-3/h7H,4-6H2,1-3H3.
What are the key properties of methyl 5-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]-5-oxopentanoate?
methyl 5-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]-5-oxopentanoate has a molecular weight of 256.33 g/mol, XLogP of 1.76, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]-5-oxopentanoate is sourced from PubChem (CID 86792918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).