methyl 2-[(4-tert-butylthiadiazole-5-carbonyl)-methylamino]acetate

C11H17N3O3S — CID 65207341

IUPACmethyl 2-[(4-tert-butylthiadiazole-5-carbonyl)-methylamino]acetate
SMILESCOC(=O)CN(C)C(=O)c1snnc1C(C)(C)C
InChIInChI=1S/C11H17N3O3S/c1-11(2,3)9-8(18-13-12-9)10(16)14(4)6-7(15)17-5/h6H2,1-5H3
InChIKeyPCPLDMYOZCRZNR-UHFFFAOYSA-N
MW271.34 g/mol
LogP1.08
Rot. Bonds3

About methyl 2-[(4-tert-butylthiadiazole-5-carbonyl)-methylamino]acetate

methyl 2-[(4-tert-butylthiadiazole-5-carbonyl)-methylamino]acetate (PubChem CID 65207341) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is methyl 2-[(4-tert-butylthiadiazole-5-carbonyl)-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(4-tert-butylthiadiazole-5-carbonyl)-methylamino]acetate
PubChem CID65207341
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Namemethyl 2-[(4-tert-butylthiadiazole-5-carbonyl)-methylamino]acetate
SMILESCOC(=O)CN(C)C(=O)c1snnc1C(C)(C)C
InChIInChI=1S/C11H17N3O3S/c1-11(2,3)9-8(18-13-12-9)10(16)14(4)6-7(15)17-5/h6H2,1-5H3
InChIKeyPCPLDMYOZCRZNR-UHFFFAOYSA-N
XLogP1.08
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-tert-butylthiadiazole-5-carbonyl)-methylamino]acetate?
The IUPAC name of methyl 2-[(4-tert-butylthiadiazole-5-carbonyl)-methylamino]acetate (CID 65207341) is methyl 2-[(4-tert-butylthiadiazole-5-carbonyl)-methylamino]acetate.
What is the SMILES notation for methyl 2-[(4-tert-butylthiadiazole-5-carbonyl)-methylamino]acetate?
The canonical SMILES for methyl 2-[(4-tert-butylthiadiazole-5-carbonyl)-methylamino]acetate is COC(=O)CN(C)C(=O)c1snnc1C(C)(C)C.
What is the InChIKey of methyl 2-[(4-tert-butylthiadiazole-5-carbonyl)-methylamino]acetate?
The InChIKey is PCPLDMYOZCRZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-11(2,3)9-8(18-13-12-9)10(16)14(4)6-7(15)17-5/h6H2,1-5H3.
What are the key properties of methyl 2-[(4-tert-butylthiadiazole-5-carbonyl)-methylamino]acetate?
methyl 2-[(4-tert-butylthiadiazole-5-carbonyl)-methylamino]acetate has a molecular weight of 271.34 g/mol, XLogP of 1.08, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-tert-butylthiadiazole-5-carbonyl)-methylamino]acetate is sourced from PubChem (CID 65207341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).