N,N-diethyl-4-[4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazol-2-yl]piperidine-1-carboxamide

C21H27N7O2S — CID 25025310

IUPACN,N-diethyl-4-[4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazol-2-yl]piperidine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCC(c2nc(COc3ccc(-n4cnnn4)cc3)cs2)CC1
InChIInChI=1S/C21H27N7O2S/c1-3-26(4-2)21(29)27-11-9-16(10-12-27)20-23-17(14-31-20)13-30-19-7-5-18(6-8-19)28-15-22-24-25-28/h5-8,14-16H,3-4,9-13H2,1-2H3
InChIKeySKXSTVVFBCLKAH-UHFFFAOYSA-N
MW441.56 g/mol
LogP3.34
Rot. Bonds7

About N,N-diethyl-4-[4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazol-2-yl]piperidine-1-carboxamide

N,N-diethyl-4-[4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazol-2-yl]piperidine-1-carboxamide (PubChem CID 25025310) has the molecular formula C21H27N7O2S and a molecular weight of 441.56 g/mol. Its IUPAC name is N,N-diethyl-4-[4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazol-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-4-[4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazol-2-yl]piperidine-1-carboxamide
PubChem CID25025310
Molecular FormulaC21H27N7O2S
Molecular Weight441.56 g/mol
Exact Mass441.19
IUPAC NameN,N-diethyl-4-[4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazol-2-yl]piperidine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCC(c2nc(COc3ccc(-n4cnnn4)cc3)cs2)CC1
InChIInChI=1S/C21H27N7O2S/c1-3-26(4-2)21(29)27-11-9-16(10-12-27)20-23-17(14-31-20)13-30-19-7-5-18(6-8-19)28-15-22-24-25-28/h5-8,14-16H,3-4,9-13H2,1-2H3
InChIKeySKXSTVVFBCLKAH-UHFFFAOYSA-N
XLogP3.34
TPSA89.27 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.56
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazol-2-yl]piperidine-1-carboxamide?
The IUPAC name of N,N-diethyl-4-[4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazol-2-yl]piperidine-1-carboxamide (CID 25025310) is N,N-diethyl-4-[4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazol-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for N,N-diethyl-4-[4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazol-2-yl]piperidine-1-carboxamide?
The canonical SMILES for N,N-diethyl-4-[4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazol-2-yl]piperidine-1-carboxamide is CCN(CC)C(=O)N1CCC(c2nc(COc3ccc(-n4cnnn4)cc3)cs2)CC1.
What is the InChIKey of N,N-diethyl-4-[4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazol-2-yl]piperidine-1-carboxamide?
The InChIKey is SKXSTVVFBCLKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N7O2S/c1-3-26(4-2)21(29)27-11-9-16(10-12-27)20-23-17(14-31-20)13-30-19-7-5-18(6-8-19)28-15-22-24-25-28/h5-8,14-16H,3-4,9-13H2,1-2H3.
What are the key properties of N,N-diethyl-4-[4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazol-2-yl]piperidine-1-carboxamide?
N,N-diethyl-4-[4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazol-2-yl]piperidine-1-carboxamide has a molecular weight of 441.56 g/mol, XLogP of 3.34, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazol-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 25025310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).