methyl 2-[2-[2,2-dimethylpropyl(methyl)amino]-1,3-thiazol-4-yl]acetate

C12H20N2O2S — CID 80575881

IUPACmethyl 2-[2-[2,2-dimethylpropyl(methyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(N(C)CC(C)(C)C)n1
InChIInChI=1S/C12H20N2O2S/c1-12(2,3)8-14(4)11-13-9(7-17-11)6-10(15)16-5/h7H,6,8H2,1-5H3
InChIKeyKJCCQDMOMXAIGB-UHFFFAOYSA-N
MW256.37 g/mol
LogP2.34
Rot. Bonds4

About methyl 2-[2-[2,2-dimethylpropyl(methyl)amino]-1,3-thiazol-4-yl]acetate

methyl 2-[2-[2,2-dimethylpropyl(methyl)amino]-1,3-thiazol-4-yl]acetate (PubChem CID 80575881) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is methyl 2-[2-[2,2-dimethylpropyl(methyl)amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[2,2-dimethylpropyl(methyl)amino]-1,3-thiazol-4-yl]acetate
PubChem CID80575881
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Namemethyl 2-[2-[2,2-dimethylpropyl(methyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(N(C)CC(C)(C)C)n1
InChIInChI=1S/C12H20N2O2S/c1-12(2,3)8-14(4)11-13-9(7-17-11)6-10(15)16-5/h7H,6,8H2,1-5H3
InChIKeyKJCCQDMOMXAIGB-UHFFFAOYSA-N
XLogP2.34
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[2-[3-methoxypropyl(methyl)amino]-1,3-thiazol-4-yl]acetate
CID 80576775
methyl 2-[2-(dipropylamino)-1,3-thiazol-4-yl]acetate
CID 80575671
methyl 2-[2-[methyl(2-thiophen-2-ylethyl)amino]-1,3-thiazol-4-yl]acetate
CID 80576618
methyl 2-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1,3-thiazol-4-yl]acetate
CID 80576669
methyl 2-[2-[bis(cyanomethyl)amino]-1,3-thiazol-4-yl]acetate
CID 80575367
methyl 2-[2-[2-(dimethylcarbamoylamino)ethylamino]-1,3-thiazol-4-yl]acetate
CID 83117388
methyl 3-[2-(dimethylamino)-1,3-thiazol-4-yl]propanoate
CID 107039652
methyl 2-[2-[1-(4-chlorophenyl)ethyl-methylamino]-1,3-thiazol-4-yl]acetate
CID 80574854
methyl 3-[2-[methyl(propyl)amino]-1,3-thiazol-4-yl]propanoate
CID 107039998
ethyl 2-[2-[methyl(3,3,3-trifluoropropyl)amino]-1,3-thiazol-4-yl]acetate
CID 80576648
methyl 2-[2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1,3-thiazol-4-yl]acetate
CID 80575730
methyl 2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]acetate
CID 78992497

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[2,2-dimethylpropyl(methyl)amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of methyl 2-[2-[2,2-dimethylpropyl(methyl)amino]-1,3-thiazol-4-yl]acetate (CID 80575881) is methyl 2-[2-[2,2-dimethylpropyl(methyl)amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for methyl 2-[2-[2,2-dimethylpropyl(methyl)amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for methyl 2-[2-[2,2-dimethylpropyl(methyl)amino]-1,3-thiazol-4-yl]acetate is COC(=O)Cc1csc(N(C)CC(C)(C)C)n1.
What is the InChIKey of methyl 2-[2-[2,2-dimethylpropyl(methyl)amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is KJCCQDMOMXAIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-12(2,3)8-14(4)11-13-9(7-17-11)6-10(15)16-5/h7H,6,8H2,1-5H3.
What are the key properties of methyl 2-[2-[2,2-dimethylpropyl(methyl)amino]-1,3-thiazol-4-yl]acetate?
methyl 2-[2-[2,2-dimethylpropyl(methyl)amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 256.37 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[2,2-dimethylpropyl(methyl)amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 80575881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).