methyl 3-[(2-tert-butyl-1,3-thiazol-4-yl)methyl-ethylamino]propanoate

C14H24N2O2S — CID 62026044

IUPACmethyl 3-[(2-tert-butyl-1,3-thiazol-4-yl)methyl-ethylamino]propanoate
SMILESCCN(CCC(=O)OC)Cc1csc(C(C)(C)C)n1
InChIInChI=1S/C14H24N2O2S/c1-6-16(8-7-12(17)18-5)9-11-10-19-13(15-11)14(2,3)4/h10H,6-9H2,1-5H3
InChIKeyNOAPHBLSDDMXGC-UHFFFAOYSA-N
MW284.42 g/mol
LogP2.83
Rot. Bonds6

About methyl 3-[(2-tert-butyl-1,3-thiazol-4-yl)methyl-ethylamino]propanoate

methyl 3-[(2-tert-butyl-1,3-thiazol-4-yl)methyl-ethylamino]propanoate (PubChem CID 62026044) has the molecular formula C14H24N2O2S and a molecular weight of 284.42 g/mol. Its IUPAC name is methyl 3-[(2-tert-butyl-1,3-thiazol-4-yl)methyl-ethylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(2-tert-butyl-1,3-thiazol-4-yl)methyl-ethylamino]propanoate
PubChem CID62026044
Molecular FormulaC14H24N2O2S
Molecular Weight284.42 g/mol
Exact Mass284.16
IUPAC Namemethyl 3-[(2-tert-butyl-1,3-thiazol-4-yl)methyl-ethylamino]propanoate
SMILESCCN(CCC(=O)OC)Cc1csc(C(C)(C)C)n1
InChIInChI=1S/C14H24N2O2S/c1-6-16(8-7-12(17)18-5)9-11-10-19-13(15-11)14(2,3)4/h10H,6-9H2,1-5H3
InChIKeyNOAPHBLSDDMXGC-UHFFFAOYSA-N
XLogP2.83
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-tert-butyl-1,3-thiazol-4-yl)methyl-ethylamino]propanoate?
The IUPAC name of methyl 3-[(2-tert-butyl-1,3-thiazol-4-yl)methyl-ethylamino]propanoate (CID 62026044) is methyl 3-[(2-tert-butyl-1,3-thiazol-4-yl)methyl-ethylamino]propanoate.
What is the SMILES notation for methyl 3-[(2-tert-butyl-1,3-thiazol-4-yl)methyl-ethylamino]propanoate?
The canonical SMILES for methyl 3-[(2-tert-butyl-1,3-thiazol-4-yl)methyl-ethylamino]propanoate is CCN(CCC(=O)OC)Cc1csc(C(C)(C)C)n1.
What is the InChIKey of methyl 3-[(2-tert-butyl-1,3-thiazol-4-yl)methyl-ethylamino]propanoate?
The InChIKey is NOAPHBLSDDMXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-6-16(8-7-12(17)18-5)9-11-10-19-13(15-11)14(2,3)4/h10H,6-9H2,1-5H3.
What are the key properties of methyl 3-[(2-tert-butyl-1,3-thiazol-4-yl)methyl-ethylamino]propanoate?
methyl 3-[(2-tert-butyl-1,3-thiazol-4-yl)methyl-ethylamino]propanoate has a molecular weight of 284.42 g/mol, XLogP of 2.83, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-tert-butyl-1,3-thiazol-4-yl)methyl-ethylamino]propanoate is sourced from PubChem (CID 62026044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).