N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide

C22H24N4O2S2 — CID 24599674

IUPACN-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc2nc(N3CCCC3)sc2c1)C1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C22H24N4O2S2/c27-20(15-7-11-25(12-8-15)21(28)18-4-3-13-29-18)23-16-5-6-17-19(14-16)30-22(24-17)26-9-1-2-10-26/h3-6,13-15H,1-2,7-12H2,(H,23,27)
InChIKeyNHLGAVIYPWFBED-UHFFFAOYSA-N
MW440.59 g/mol
LogP4.45
Rot. Bonds4

About N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide

N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (PubChem CID 24599674) has the molecular formula C22H24N4O2S2 and a molecular weight of 440.59 g/mol. Its IUPAC name is N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
PubChem CID24599674
Molecular FormulaC22H24N4O2S2
Molecular Weight440.59 g/mol
Exact Mass440.13
IUPAC NameN-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc2nc(N3CCCC3)sc2c1)C1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C22H24N4O2S2/c27-20(15-7-11-25(12-8-15)21(28)18-4-3-13-29-18)23-16-5-6-17-19(14-16)30-22(24-17)26-9-1-2-10-26/h3-6,13-15H,1-2,7-12H2,(H,23,27)
InChIKeyNHLGAVIYPWFBED-UHFFFAOYSA-N
XLogP4.45
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.59
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 46557962
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55719254
N-[2-oxo-2-[(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)amino]ethyl]thiophene-2-carboxamide
CID 17450623
N-(3-chloro-4-fluorophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 1075518
N-phenyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 1075464
1-(thiophene-2-carbonyl)-N-[3-(thiophene-2-carbonylamino)phenyl]piperidine-4-carboxamide
CID 31520919
1,1-dioxo-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)thiolane-3-carboxamide
CID 42932681
N-(9H-fluoren-2-yl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 46817722
N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)piperidine-3-carboxamide;dihydrochloride
CID 119839152
N-(2-methyl-1,3-benzothiazol-6-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 4786603
3-amino-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 119839175
N-(2-methyl-1,3-benzothiazol-6-yl)-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 4782960

Frequently Asked Questions

What is the IUPAC name of N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (CID 24599674) is N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide is O=C(Nc1ccc2nc(N3CCCC3)sc2c1)C1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is NHLGAVIYPWFBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2S2/c27-20(15-7-11-25(12-8-15)21(28)18-4-3-13-29-18)23-16-5-6-17-19(14-16)30-22(24-17)26-9-1-2-10-26/h3-6,13-15H,1-2,7-12H2,(H,23,27).
What are the key properties of N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 440.59 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 24599674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).