N-(1,3-benzothiazol-2-ylmethyl)-3-methoxy-4-pyrazolidin-4-ylbenzamide

C19H20N4O2S — CID 131635885

IUPACN-(1,3-benzothiazol-2-ylmethyl)-3-methoxy-4-pyrazolidin-4-ylbenzamide
SMILESCOc1cc(C(=O)NCc2nc3ccccc3s2)ccc1C1CNNC1
InChIInChI=1S/C19H20N4O2S/c1-25-16-8-12(6-7-14(16)13-9-21-22-10-13)19(24)20-11-18-23-15-4-2-3-5-17(15)26-18/h2-8,13,21-22H,9-11H2,1H3,(H,20,24)
InChIKeyVUCBJMLQXJGXBS-UHFFFAOYSA-N
MW368.46 g/mol
LogP2.43
Rot. Bonds5

About N-(1,3-benzothiazol-2-ylmethyl)-3-methoxy-4-pyrazolidin-4-ylbenzamide

N-(1,3-benzothiazol-2-ylmethyl)-3-methoxy-4-pyrazolidin-4-ylbenzamide (PubChem CID 131635885) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)-3-methoxy-4-pyrazolidin-4-ylbenzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)-3-methoxy-4-pyrazolidin-4-ylbenzamide
PubChem CID131635885
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)-3-methoxy-4-pyrazolidin-4-ylbenzamide
SMILESCOc1cc(C(=O)NCc2nc3ccccc3s2)ccc1C1CNNC1
InChIInChI=1S/C19H20N4O2S/c1-25-16-8-12(6-7-14(16)13-9-21-22-10-13)19(24)20-11-18-23-15-4-2-3-5-17(15)26-18/h2-8,13,21-22H,9-11H2,1H3,(H,20,24)
InChIKeyVUCBJMLQXJGXBS-UHFFFAOYSA-N
XLogP2.43
TPSA75.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-3-methoxy-4-pyrazolidin-4-ylbenzamide?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-3-methoxy-4-pyrazolidin-4-ylbenzamide (CID 131635885) is N-(1,3-benzothiazol-2-ylmethyl)-3-methoxy-4-pyrazolidin-4-ylbenzamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)-3-methoxy-4-pyrazolidin-4-ylbenzamide?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)-3-methoxy-4-pyrazolidin-4-ylbenzamide is COc1cc(C(=O)NCc2nc3ccccc3s2)ccc1C1CNNC1.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)-3-methoxy-4-pyrazolidin-4-ylbenzamide?
The InChIKey is VUCBJMLQXJGXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-25-16-8-12(6-7-14(16)13-9-21-22-10-13)19(24)20-11-18-23-15-4-2-3-5-17(15)26-18/h2-8,13,21-22H,9-11H2,1H3,(H,20,24).
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)-3-methoxy-4-pyrazolidin-4-ylbenzamide?
N-(1,3-benzothiazol-2-ylmethyl)-3-methoxy-4-pyrazolidin-4-ylbenzamide has a molecular weight of 368.46 g/mol, XLogP of 2.43, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-ylmethyl)-3-methoxy-4-pyrazolidin-4-ylbenzamide is sourced from PubChem (CID 131635885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).