N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide

C24H27ClN4O2S — CID 43964889

IUPACN-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCc1ccc(Cl)c2sc(N(CCCN(C)C)C(=O)C3CC(=O)N(c4ccccc4)C3)nc12
InChIInChI=1S/C24H27ClN4O2S/c1-16-10-11-19(25)22-21(16)26-24(32-22)28(13-7-12-27(2)3)23(31)17-14-20(30)29(15-17)18-8-5-4-6-9-18/h4-6,8-11,17H,7,12-15H2,1-3H3
InChIKeyKUNJHDZCBSUFJM-UHFFFAOYSA-N
MW471.03 g/mol
LogP4.60
Rot. Bonds7

About N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide

N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide (PubChem CID 43964889) has the molecular formula C24H27ClN4O2S and a molecular weight of 471.03 g/mol. Its IUPAC name is N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
PubChem CID43964889
Molecular FormulaC24H27ClN4O2S
Molecular Weight471.03 g/mol
Exact Mass470.15
IUPAC NameN-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCc1ccc(Cl)c2sc(N(CCCN(C)C)C(=O)C3CC(=O)N(c4ccccc4)C3)nc12
InChIInChI=1S/C24H27ClN4O2S/c1-16-10-11-19(25)22-21(16)26-24(32-22)28(13-7-12-27(2)3)23(31)17-14-20(30)29(15-17)18-8-5-4-6-9-18/h4-6,8-11,17H,7,12-15H2,1-3H3
InChIKeyKUNJHDZCBSUFJM-UHFFFAOYSA-N
XLogP4.60
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.03
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(dimethylamino)propyl]-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 43964888
N-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 43961566
(3R)-N-(4-methyl-1,3-benzothiazol-2-yl)-5-oxo-1-phenyl-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 51696135
methyl 2-[(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-[3-(dimethylamino)propyl]carbamoyl]benzoate
CID 43964945
N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]quinoxaline-2-carboxamide
CID 43965242
N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(4-chlorophenoxy)-N-[3-(dimethylamino)propyl]-2-methylpropanamide
CID 43964497
N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-methyl-3-nitrobenzamide
CID 43964735
(3S)-N,N-dimethyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 9350614
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-3,4-dimethylbenzamide
CID 41076624
N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-(4-nitrophenyl)acetamide
CID 43964861
N-ethyl-N-(2-methylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17080533
(3S)-N-methyl-5-oxo-N,1-diphenylpyrrolidine-3-carboxamide
CID 40720221

Frequently Asked Questions

What is the IUPAC name of N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The IUPAC name of N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide (CID 43964889) is N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide is Cc1ccc(Cl)c2sc(N(CCCN(C)C)C(=O)C3CC(=O)N(c4ccccc4)C3)nc12.
What is the InChIKey of N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The InChIKey is KUNJHDZCBSUFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4O2S/c1-16-10-11-19(25)22-21(16)26-24(32-22)28(13-7-12-27(2)3)23(31)17-14-20(30)29(15-17)18-8-5-4-6-9-18/h4-6,8-11,17H,7,12-15H2,1-3H3.
What are the key properties of N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide has a molecular weight of 471.03 g/mol, XLogP of 4.60, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 43964889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).