N-(6-chloro-1,3-benzothiazol-2-yl)-2-(2-oxopyrrolidin-1-yl)benzamide

C18H14ClN3O2S — CID 8927459

IUPACN-(6-chloro-1,3-benzothiazol-2-yl)-2-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(Nc1nc2ccc(Cl)cc2s1)c1ccccc1N1CCCC1=O
InChIInChI=1S/C18H14ClN3O2S/c19-11-7-8-13-15(10-11)25-18(20-13)21-17(24)12-4-1-2-5-14(12)22-9-3-6-16(22)23/h1-2,4-5,7-8,10H,3,6,9H2,(H,20,21,24)
InChIKeyZCODAYOLSWPUIY-UHFFFAOYSA-N
MW371.85 g/mol
LogP4.33
Rot. Bonds3

About N-(6-chloro-1,3-benzothiazol-2-yl)-2-(2-oxopyrrolidin-1-yl)benzamide

N-(6-chloro-1,3-benzothiazol-2-yl)-2-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 8927459) has the molecular formula C18H14ClN3O2S and a molecular weight of 371.85 g/mol. Its IUPAC name is N-(6-chloro-1,3-benzothiazol-2-yl)-2-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-(6-chloro-1,3-benzothiazol-2-yl)-2-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID8927459
Molecular FormulaC18H14ClN3O2S
Molecular Weight371.85 g/mol
Exact Mass371.05
IUPAC NameN-(6-chloro-1,3-benzothiazol-2-yl)-2-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(Nc1nc2ccc(Cl)cc2s1)c1ccccc1N1CCCC1=O
InChIInChI=1S/C18H14ClN3O2S/c19-11-7-8-13-15(10-11)25-18(20-13)21-17(24)12-4-1-2-5-14(12)22-9-3-6-16(22)23/h1-2,4-5,7-8,10H,3,6,9H2,(H,20,21,24)
InChIKeyZCODAYOLSWPUIY-UHFFFAOYSA-N
XLogP4.33
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.85
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)-2-(2-oxopyrrolidin-1-yl)benzamide
CID 35853287
4-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9046620
1-N,2-N-bis(6-chloro-1,3-benzothiazol-2-yl)benzene-1,2-dicarboxamide
CID 4651435
N-(6-chloro-1,3-benzothiazol-2-yl)-1-methyl-2-oxopyridine-3-carboxamide
CID 110692949
N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(2-oxopyrrolidin-1-yl)benzamide
CID 9327000
4-chloro-2-(2-oxopyrrolidin-1-yl)-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 29371044
2,5-dichloro-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 26709772
3-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-2-methylbenzamide
CID 29277984
4-chloro-2-fluoro-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 17499343
N-(6-chloro-1,3-benzothiazol-2-yl)-2-oxochromene-3-carboxamide
CID 1144036
4-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide
CID 739315
N-(6-chloro-1,3-benzothiazol-2-yl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 78889853

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-2-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-2-(2-oxopyrrolidin-1-yl)benzamide (CID 8927459) is N-(6-chloro-1,3-benzothiazol-2-yl)-2-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-(6-chloro-1,3-benzothiazol-2-yl)-2-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-(6-chloro-1,3-benzothiazol-2-yl)-2-(2-oxopyrrolidin-1-yl)benzamide is O=C(Nc1nc2ccc(Cl)cc2s1)c1ccccc1N1CCCC1=O.
What is the InChIKey of N-(6-chloro-1,3-benzothiazol-2-yl)-2-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is ZCODAYOLSWPUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O2S/c19-11-7-8-13-15(10-11)25-18(20-13)21-17(24)12-4-1-2-5-14(12)22-9-3-6-16(22)23/h1-2,4-5,7-8,10H,3,6,9H2,(H,20,21,24).
What are the key properties of N-(6-chloro-1,3-benzothiazol-2-yl)-2-(2-oxopyrrolidin-1-yl)benzamide?
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 371.85 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-1,3-benzothiazol-2-yl)-2-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 8927459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).