N-(5-chloro-1,3-benzothiazol-4-yl)-5-oxopyrrolidine-3-carboxamide

C12H10ClN3O2S — CID 83192842

IUPACN-(5-chloro-1,3-benzothiazol-4-yl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C1CC(C(=O)Nc2c(Cl)ccc3scnc23)CN1
InChIInChI=1S/C12H10ClN3O2S/c13-7-1-2-8-11(15-5-19-8)10(7)16-12(18)6-3-9(17)14-4-6/h1-2,5-6H,3-4H2,(H,14,17)(H,16,18)
InChIKeyFVABVZRSJRSOFN-UHFFFAOYSA-N
MW295.75 g/mol
LogP2.02
Rot. Bonds2

About N-(5-chloro-1,3-benzothiazol-4-yl)-5-oxopyrrolidine-3-carboxamide

N-(5-chloro-1,3-benzothiazol-4-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 83192842) has the molecular formula C12H10ClN3O2S and a molecular weight of 295.75 g/mol. Its IUPAC name is N-(5-chloro-1,3-benzothiazol-4-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-1,3-benzothiazol-4-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID83192842
Molecular FormulaC12H10ClN3O2S
Molecular Weight295.75 g/mol
Exact Mass295.02
IUPAC NameN-(5-chloro-1,3-benzothiazol-4-yl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C1CC(C(=O)Nc2c(Cl)ccc3scnc23)CN1
InChIInChI=1S/C12H10ClN3O2S/c13-7-1-2-8-11(15-5-19-8)10(7)16-12(18)6-3-9(17)14-4-6/h1-2,5-6H,3-4H2,(H,14,17)(H,16,18)
InChIKeyFVABVZRSJRSOFN-UHFFFAOYSA-N
XLogP2.02
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.75
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-1,3-benzothiazol-4-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(5-chloro-1,3-benzothiazol-4-yl)-5-oxopyrrolidine-3-carboxamide (CID 83192842) is N-(5-chloro-1,3-benzothiazol-4-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(5-chloro-1,3-benzothiazol-4-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(5-chloro-1,3-benzothiazol-4-yl)-5-oxopyrrolidine-3-carboxamide is O=C1CC(C(=O)Nc2c(Cl)ccc3scnc23)CN1.
What is the InChIKey of N-(5-chloro-1,3-benzothiazol-4-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is FVABVZRSJRSOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O2S/c13-7-1-2-8-11(15-5-19-8)10(7)16-12(18)6-3-9(17)14-4-6/h1-2,5-6H,3-4H2,(H,14,17)(H,16,18).
What are the key properties of N-(5-chloro-1,3-benzothiazol-4-yl)-5-oxopyrrolidine-3-carboxamide?
N-(5-chloro-1,3-benzothiazol-4-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 295.75 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-1,3-benzothiazol-4-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 83192842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).