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

C19H16ClN3O2S — CID 35853287

IUPAC4-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)-2-(2-oxopyrrolidin-1-yl)benzamide
SMILESCc1ccc2nc(NC(=O)c3ccc(Cl)cc3N3CCCC3=O)sc2c1
InChIInChI=1S/C19H16ClN3O2S/c1-11-4-7-14-16(9-11)26-19(21-14)22-18(25)13-6-5-12(20)10-15(13)23-8-2-3-17(23)24/h4-7,9-10H,2-3,8H2,1H3,(H,21,22,25)
InChIKeyABTQHCHATHMNEJ-UHFFFAOYSA-N
MW385.88 g/mol
LogP4.64
Rot. Bonds3

About 4-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)-2-(2-oxopyrrolidin-1-yl)benzamide

4-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)-2-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 35853287) has the molecular formula C19H16ClN3O2S and a molecular weight of 385.88 g/mol. Its IUPAC name is 4-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)-2-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)-2-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID35853287
Molecular FormulaC19H16ClN3O2S
Molecular Weight385.88 g/mol
Exact Mass385.07
IUPAC Name4-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)-2-(2-oxopyrrolidin-1-yl)benzamide
SMILESCc1ccc2nc(NC(=O)c3ccc(Cl)cc3N3CCCC3=O)sc2c1
InChIInChI=1S/C19H16ClN3O2S/c1-11-4-7-14-16(9-11)26-19(21-14)22-18(25)13-6-5-12(20)10-15(13)23-8-2-3-17(23)24/h4-7,9-10H,2-3,8H2,1H3,(H,21,22,25)
InChIKeyABTQHCHATHMNEJ-UHFFFAOYSA-N
XLogP4.64
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.88
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-chloro-1,3-benzothiazol-2-yl)-2-(2-oxopyrrolidin-1-yl)benzamide
CID 8927459
4-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9046620
4-chloro-2-(2-oxopyrrolidin-1-yl)-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 29371044
2-fluoro-4-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 79765196
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-chloro-2-(2-oxopyrrolidin-1-yl)benzamide
CID 29289656
2-chloro-4,5-difluoro-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 2701477
2-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21007177
N-(6-amino-1,3-benzothiazol-2-yl)-2-chloro-4-methylbenzamide
CID 106860352
3-[[4-chloro-2-(2-oxopyrrolidin-1-yl)benzoyl]amino]-N,2-dimethylbenzamide
CID 55677245
1-N,2-N-bis(6-chloro-1,3-benzothiazol-2-yl)benzene-1,2-dicarboxamide
CID 4651435
2-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 3809613
4-chloro-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-(2-oxopyrrolidin-1-yl)benzamide
CID 9291780

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)-2-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of 4-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)-2-(2-oxopyrrolidin-1-yl)benzamide (CID 35853287) is 4-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)-2-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for 4-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)-2-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for 4-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)-2-(2-oxopyrrolidin-1-yl)benzamide is Cc1ccc2nc(NC(=O)c3ccc(Cl)cc3N3CCCC3=O)sc2c1.
What is the InChIKey of 4-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)-2-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is ABTQHCHATHMNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2S/c1-11-4-7-14-16(9-11)26-19(21-14)22-18(25)13-6-5-12(20)10-15(13)23-8-2-3-17(23)24/h4-7,9-10H,2-3,8H2,1H3,(H,21,22,25).
What are the key properties of 4-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)-2-(2-oxopyrrolidin-1-yl)benzamide?
4-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)-2-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 385.88 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)-2-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 35853287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).