4-(oxolane-2-carbonyl)-N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]piperazine-1-carboxamide

C20H24N4O4S — CID 56568213

IUPAC4-(oxolane-2-carbonyl)-N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]piperazine-1-carboxamide
SMILESO=C(Nc1cccc(OCc2cscn2)c1)N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C20H24N4O4S/c25-19(18-5-2-10-27-18)23-6-8-24(9-7-23)20(26)22-15-3-1-4-17(11-15)28-12-16-13-29-14-21-16/h1,3-4,11,13-14,18H,2,5-10,12H2,(H,22,26)
InChIKeyAZVVEORQFMXVSM-UHFFFAOYSA-N
MW416.50 g/mol
LogP2.58
Rot. Bonds5

About 4-(oxolane-2-carbonyl)-N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]piperazine-1-carboxamide

4-(oxolane-2-carbonyl)-N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]piperazine-1-carboxamide (PubChem CID 56568213) has the molecular formula C20H24N4O4S and a molecular weight of 416.50 g/mol. Its IUPAC name is 4-(oxolane-2-carbonyl)-N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(oxolane-2-carbonyl)-N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]piperazine-1-carboxamide
PubChem CID56568213
Molecular FormulaC20H24N4O4S
Molecular Weight416.50 g/mol
Exact Mass416.15
IUPAC Name4-(oxolane-2-carbonyl)-N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]piperazine-1-carboxamide
SMILESO=C(Nc1cccc(OCc2cscn2)c1)N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C20H24N4O4S/c25-19(18-5-2-10-27-18)23-6-8-24(9-7-23)20(26)22-15-3-1-4-17(11-15)28-12-16-13-29-14-21-16/h1,3-4,11,13-14,18H,2,5-10,12H2,(H,22,26)
InChIKeyAZVVEORQFMXVSM-UHFFFAOYSA-N
XLogP2.58
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]pyrrolidine-1-carboxamide
CID 60615827
4-(2-oxo-2-pyrrolidin-1-ylacetyl)-N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]piperazine-1-carboxamide
CID 56567793
4-[(4-methoxyphenyl)methyl]-N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]piperazine-1-carboxamide
CID 56568081
(6S)-6-methyl-1,1-dioxo-N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]-1,4-thiazepane-4-carboxamide
CID 129347329
1-cyclopentyl-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea
CID 60616655
N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119872092
4-(1,3-thiazol-4-ylmethoxy)-N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]benzamide
CID 86878089
4-(oxolane-2-carbonyl)-N-[3-(2-phenylethynyl)phenyl]piperazine-1-carboxamide
CID 112825512
N-[6-(diethylamino)-3-pyridinyl]-4-[(2R)-oxolane-2-carbonyl]piperazine-1-carboxamide
CID 94168440
N-[6-(diethylamino)-3-pyridinyl]-4-[(2S)-oxolane-2-carbonyl]piperazine-1-carboxamide
CID 94168439
N-[3-[2-[[N-methyl-C-[4-(oxolane-2-carbonyl)piperazin-1-yl]carbonimidoyl]amino]ethoxy]phenyl]acetamide;hydroiodide
CID 111300978
N-[4-(3-methylphenoxy)phenyl]-4-[(2S)-oxolane-2-carbonyl]piperazine-1-carboxamide
CID 51945143

Frequently Asked Questions

What is the IUPAC name of 4-(oxolane-2-carbonyl)-N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-(oxolane-2-carbonyl)-N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]piperazine-1-carboxamide (CID 56568213) is 4-(oxolane-2-carbonyl)-N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(oxolane-2-carbonyl)-N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(oxolane-2-carbonyl)-N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]piperazine-1-carboxamide is O=C(Nc1cccc(OCc2cscn2)c1)N1CCN(C(=O)C2CCCO2)CC1.
What is the InChIKey of 4-(oxolane-2-carbonyl)-N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]piperazine-1-carboxamide?
The InChIKey is AZVVEORQFMXVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4S/c25-19(18-5-2-10-27-18)23-6-8-24(9-7-23)20(26)22-15-3-1-4-17(11-15)28-12-16-13-29-14-21-16/h1,3-4,11,13-14,18H,2,5-10,12H2,(H,22,26).
What are the key properties of 4-(oxolane-2-carbonyl)-N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]piperazine-1-carboxamide?
4-(oxolane-2-carbonyl)-N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]piperazine-1-carboxamide has a molecular weight of 416.50 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolane-2-carbonyl)-N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 56568213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).