methyl 2-oxo-2-[4-[4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazol-2-yl]piperidin-1-yl]acetate

C19H20N6O4S — CID 25025307

IUPACmethyl 2-oxo-2-[4-[4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazol-2-yl]piperidin-1-yl]acetate
SMILESCOC(=O)C(=O)N1CCC(c2nc(COc3ccc(-n4cnnn4)cc3)cs2)CC1
InChIInChI=1S/C19H20N6O4S/c1-28-19(27)18(26)24-8-6-13(7-9-24)17-21-14(11-30-17)10-29-16-4-2-15(3-5-16)25-12-20-22-23-25/h2-5,11-13H,6-10H2,1H3
InChIKeyYUPJEIAGIRNZKE-UHFFFAOYSA-N
MW428.47 g/mol
LogP1.58
Rot. Bonds5

About methyl 2-oxo-2-[4-[4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazol-2-yl]piperidin-1-yl]acetate

methyl 2-oxo-2-[4-[4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazol-2-yl]piperidin-1-yl]acetate (PubChem CID 25025307) has the molecular formula C19H20N6O4S and a molecular weight of 428.47 g/mol. Its IUPAC name is methyl 2-oxo-2-[4-[4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazol-2-yl]piperidin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-oxo-2-[4-[4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazol-2-yl]piperidin-1-yl]acetate
PubChem CID25025307
Molecular FormulaC19H20N6O4S
Molecular Weight428.47 g/mol
Exact Mass428.13
IUPAC Namemethyl 2-oxo-2-[4-[4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazol-2-yl]piperidin-1-yl]acetate
SMILESCOC(=O)C(=O)N1CCC(c2nc(COc3ccc(-n4cnnn4)cc3)cs2)CC1
InChIInChI=1S/C19H20N6O4S/c1-28-19(27)18(26)24-8-6-13(7-9-24)17-21-14(11-30-17)10-29-16-4-2-15(3-5-16)25-12-20-22-23-25/h2-5,11-13H,6-10H2,1H3
InChIKeyYUPJEIAGIRNZKE-UHFFFAOYSA-N
XLogP1.58
TPSA112.33 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.47
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-oxo-2-[4-[4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazol-2-yl]piperidin-1-yl]acetate?
The IUPAC name of methyl 2-oxo-2-[4-[4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazol-2-yl]piperidin-1-yl]acetate (CID 25025307) is methyl 2-oxo-2-[4-[4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazol-2-yl]piperidin-1-yl]acetate.
What is the SMILES notation for methyl 2-oxo-2-[4-[4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazol-2-yl]piperidin-1-yl]acetate?
The canonical SMILES for methyl 2-oxo-2-[4-[4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazol-2-yl]piperidin-1-yl]acetate is COC(=O)C(=O)N1CCC(c2nc(COc3ccc(-n4cnnn4)cc3)cs2)CC1.
What is the InChIKey of methyl 2-oxo-2-[4-[4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazol-2-yl]piperidin-1-yl]acetate?
The InChIKey is YUPJEIAGIRNZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O4S/c1-28-19(27)18(26)24-8-6-13(7-9-24)17-21-14(11-30-17)10-29-16-4-2-15(3-5-16)25-12-20-22-23-25/h2-5,11-13H,6-10H2,1H3.
What are the key properties of methyl 2-oxo-2-[4-[4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazol-2-yl]piperidin-1-yl]acetate?
methyl 2-oxo-2-[4-[4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazol-2-yl]piperidin-1-yl]acetate has a molecular weight of 428.47 g/mol, XLogP of 1.58, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-oxo-2-[4-[4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazol-2-yl]piperidin-1-yl]acetate is sourced from PubChem (CID 25025307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).