(3S)-N-(1,3-benzothiazol-2-ylmethyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide

C19H19N3O2S2 — CID 39977455

IUPAC(3S)-N-(1,3-benzothiazol-2-ylmethyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
SMILESO=C(NCc1nc2ccccc2s1)[C@H]1CCCN(C(=O)c2cccs2)C1
InChIInChI=1S/C19H19N3O2S2/c23-18(20-11-17-21-14-6-1-2-7-15(14)26-17)13-5-3-9-22(12-13)19(24)16-8-4-10-25-16/h1-2,4,6-8,10,13H,3,5,9,11-12H2,(H,20,23)/t13-/m0/s1
InChIKeyYEXCZFPASYKMCZ-ZDUSSCGKSA-N
MW385.51 g/mol
LogP3.53
Rot. Bonds4

About (3S)-N-(1,3-benzothiazol-2-ylmethyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide

(3S)-N-(1,3-benzothiazol-2-ylmethyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (PubChem CID 39977455) has the molecular formula C19H19N3O2S2 and a molecular weight of 385.51 g/mol. Its IUPAC name is (3S)-N-(1,3-benzothiazol-2-ylmethyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(1,3-benzothiazol-2-ylmethyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
PubChem CID39977455
Molecular FormulaC19H19N3O2S2
Molecular Weight385.51 g/mol
Exact Mass385.09
IUPAC Name(3S)-N-(1,3-benzothiazol-2-ylmethyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
SMILESO=C(NCc1nc2ccccc2s1)[C@H]1CCCN(C(=O)c2cccs2)C1
InChIInChI=1S/C19H19N3O2S2/c23-18(20-11-17-21-14-6-1-2-7-15(14)26-17)13-5-3-9-22(12-13)19(24)16-8-4-10-25-16/h1-2,4,6-8,10,13H,3,5,9,11-12H2,(H,20,23)/t13-/m0/s1
InChIKeyYEXCZFPASYKMCZ-ZDUSSCGKSA-N
XLogP3.53
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S)-N-(1,3-benzothiazol-2-ylmethyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(1,3-benzothiazol-2-yl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 46636011
N-[(5-methylthiophen-2-yl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 71941255
N-[(4-chlorophenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 46556728
N-(1,3-benzothiazol-2-ylmethyl)cyclopropanecarboxamide
CID 18110639
(3S)-N-propyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 39977852
N-(2-phenyl-2-pyrrolidin-1-ylethyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 43053338
N-butyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 43053418
(3S)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 39982688
N-(1,3-benzothiazol-2-ylmethyl)thiophene-2-carboxamide
CID 18110672
1-(thiophene-2-carbonyl)-N-[(2,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 46556807
N-(3-cyclopentylpropyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 43057667
N-[(3-fluoro-4-methylphenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 134002117

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(1,3-benzothiazol-2-ylmethyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-(1,3-benzothiazol-2-ylmethyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (CID 39977455) is (3S)-N-(1,3-benzothiazol-2-ylmethyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(1,3-benzothiazol-2-ylmethyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(1,3-benzothiazol-2-ylmethyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide is O=C(NCc1nc2ccccc2s1)[C@H]1CCCN(C(=O)c2cccs2)C1.
What is the InChIKey of (3S)-N-(1,3-benzothiazol-2-ylmethyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The InChIKey is YEXCZFPASYKMCZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H19N3O2S2/c23-18(20-11-17-21-14-6-1-2-7-15(14)26-17)13-5-3-9-22(12-13)19(24)16-8-4-10-25-16/h1-2,4,6-8,10,13H,3,5,9,11-12H2,(H,20,23)/t13-/m0/s1.
What are the key properties of (3S)-N-(1,3-benzothiazol-2-ylmethyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
(3S)-N-(1,3-benzothiazol-2-ylmethyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide has a molecular weight of 385.51 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(1,3-benzothiazol-2-ylmethyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 39977455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).