3-methoxy-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-4-pyrazolidin-4-ylbenzamide

C21H22N4O2S — CID 131635879

IUPAC3-methoxy-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-4-pyrazolidin-4-ylbenzamide
SMILESCOc1cc(C(=O)NCc2csc(-c3ccccc3)n2)ccc1C1CNNC1
InChIInChI=1S/C21H22N4O2S/c1-27-19-9-15(7-8-18(19)16-10-23-24-11-16)20(26)22-12-17-13-28-21(25-17)14-5-3-2-4-6-14/h2-9,13,16,23-24H,10-12H2,1H3,(H,22,26)
InChIKeyKXDKBJMCFLZTKC-UHFFFAOYSA-N
MW394.50 g/mol
LogP2.94
Rot. Bonds6

About 3-methoxy-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-4-pyrazolidin-4-ylbenzamide

3-methoxy-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-4-pyrazolidin-4-ylbenzamide (PubChem CID 131635879) has the molecular formula C21H22N4O2S and a molecular weight of 394.50 g/mol. Its IUPAC name is 3-methoxy-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-4-pyrazolidin-4-ylbenzamide.

Molecular Properties

Compound Name3-methoxy-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-4-pyrazolidin-4-ylbenzamide
PubChem CID131635879
Molecular FormulaC21H22N4O2S
Molecular Weight394.50 g/mol
Exact Mass394.15
IUPAC Name3-methoxy-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-4-pyrazolidin-4-ylbenzamide
SMILESCOc1cc(C(=O)NCc2csc(-c3ccccc3)n2)ccc1C1CNNC1
InChIInChI=1S/C21H22N4O2S/c1-27-19-9-15(7-8-18(19)16-10-23-24-11-16)20(26)22-12-17-13-28-21(25-17)14-5-3-2-4-6-14/h2-9,13,16,23-24H,10-12H2,1H3,(H,22,26)
InChIKeyKXDKBJMCFLZTKC-UHFFFAOYSA-N
XLogP2.94
TPSA75.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-4-pyrazolidin-4-ylbenzamide?
The IUPAC name of 3-methoxy-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-4-pyrazolidin-4-ylbenzamide (CID 131635879) is 3-methoxy-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-4-pyrazolidin-4-ylbenzamide.
What is the SMILES notation for 3-methoxy-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-4-pyrazolidin-4-ylbenzamide?
The canonical SMILES for 3-methoxy-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-4-pyrazolidin-4-ylbenzamide is COc1cc(C(=O)NCc2csc(-c3ccccc3)n2)ccc1C1CNNC1.
What is the InChIKey of 3-methoxy-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-4-pyrazolidin-4-ylbenzamide?
The InChIKey is KXDKBJMCFLZTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2S/c1-27-19-9-15(7-8-18(19)16-10-23-24-11-16)20(26)22-12-17-13-28-21(25-17)14-5-3-2-4-6-14/h2-9,13,16,23-24H,10-12H2,1H3,(H,22,26).
What are the key properties of 3-methoxy-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-4-pyrazolidin-4-ylbenzamide?
3-methoxy-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-4-pyrazolidin-4-ylbenzamide has a molecular weight of 394.50 g/mol, XLogP of 2.94, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-4-pyrazolidin-4-ylbenzamide is sourced from PubChem (CID 131635879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).