N-benzo[e][1,3]benzothiazol-2-yl-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide

C20H19N3O2S — CID 55630434

IUPACN-benzo[e][1,3]benzothiazol-2-yl-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1nc2c(ccc3ccccc32)s1)C1CCCN1C(=O)C1CC1
InChIInChI=1S/C20H19N3O2S/c24-18(15-6-3-11-23(15)19(25)13-7-8-13)22-20-21-17-14-5-2-1-4-12(14)9-10-16(17)26-20/h1-2,4-5,9-10,13,15H,3,6-8,11H2,(H,21,22,24)
InChIKeyAFSGGNMPOJHVTM-UHFFFAOYSA-N
MW365.46 g/mol
LogP3.79
Rot. Bonds3

About N-benzo[e][1,3]benzothiazol-2-yl-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide

N-benzo[e][1,3]benzothiazol-2-yl-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide (PubChem CID 55630434) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is N-benzo[e][1,3]benzothiazol-2-yl-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-benzo[e][1,3]benzothiazol-2-yl-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide
PubChem CID55630434
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC NameN-benzo[e][1,3]benzothiazol-2-yl-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1nc2c(ccc3ccccc32)s1)C1CCCN1C(=O)C1CC1
InChIInChI=1S/C20H19N3O2S/c24-18(15-6-3-11-23(15)19(25)13-7-8-13)22-20-21-17-14-5-2-1-4-12(14)9-10-16(17)26-20/h1-2,4-5,9-10,13,15H,3,6-8,11H2,(H,21,22,24)
InChIKeyAFSGGNMPOJHVTM-UHFFFAOYSA-N
XLogP3.79
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzo[e][1,3]benzothiazol-2-yl-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 112763498
N-benzo[e][1,3]benzothiazol-2-yl-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
CID 31490504
N-benzo[e][1,3]benzothiazol-2-yl-1-methylsulfonylpyrrolidine-2-carboxamide
CID 17436210
N-benzo[e][1,3]benzothiazol-2-yloxane-4-carboxamide
CID 17430695
N-benzo[e][1,3]benzothiazol-2-yl-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide
CID 16828858
N-(6-butyl-1,3-benzothiazol-2-yl)-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide
CID 55630197
N-benzo[e][1,3]benzothiazol-2-yl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 16829102
N-benzo[e][1,3]benzothiazol-2-yl-2-(2-oxoazocan-1-yl)acetamide
CID 55755320
N-benzo[e][1,3]benzothiazol-2-yl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 16831696
N-benzo[e][1,3]benzothiazol-2-yl-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 46597297
N-benzo[e][1,3]benzothiazol-2-yl-2,2-dimethylpropanamide
CID 2340220
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide
CID 55630584

Frequently Asked Questions

What is the IUPAC name of N-benzo[e][1,3]benzothiazol-2-yl-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-benzo[e][1,3]benzothiazol-2-yl-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide (CID 55630434) is N-benzo[e][1,3]benzothiazol-2-yl-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-benzo[e][1,3]benzothiazol-2-yl-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-benzo[e][1,3]benzothiazol-2-yl-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide is O=C(Nc1nc2c(ccc3ccccc32)s1)C1CCCN1C(=O)C1CC1.
What is the InChIKey of N-benzo[e][1,3]benzothiazol-2-yl-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide?
The InChIKey is AFSGGNMPOJHVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S/c24-18(15-6-3-11-23(15)19(25)13-7-8-13)22-20-21-17-14-5-2-1-4-12(14)9-10-16(17)26-20/h1-2,4-5,9-10,13,15H,3,6-8,11H2,(H,21,22,24).
What are the key properties of N-benzo[e][1,3]benzothiazol-2-yl-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide?
N-benzo[e][1,3]benzothiazol-2-yl-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide has a molecular weight of 365.46 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzo[e][1,3]benzothiazol-2-yl-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 55630434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).