5-acetyl-N-[(3R)-1-(1,3-benzothiazol-2-yl)piperidin-3-yl]thiophene-2-carboxamide

C19H19N3O2S2 — CID 26320561

IUPAC5-acetyl-N-[(3R)-1-(1,3-benzothiazol-2-yl)piperidin-3-yl]thiophene-2-carboxamide
SMILESCC(=O)c1ccc(C(=O)N[C@@H]2CCCN(c3nc4ccccc4s3)C2)s1
InChIInChI=1S/C19H19N3O2S2/c1-12(23)15-8-9-17(25-15)18(24)20-13-5-4-10-22(11-13)19-21-14-6-2-3-7-16(14)26-19/h2-3,6-9,13H,4-5,10-11H2,1H3,(H,20,24)/t13-/m1/s1
InChIKeyJAIPDVOBOKNHLS-CYBMUJFWSA-N
MW385.51 g/mol
LogP3.96
Rot. Bonds4

About 5-acetyl-N-[(3R)-1-(1,3-benzothiazol-2-yl)piperidin-3-yl]thiophene-2-carboxamide

5-acetyl-N-[(3R)-1-(1,3-benzothiazol-2-yl)piperidin-3-yl]thiophene-2-carboxamide (PubChem CID 26320561) has the molecular formula C19H19N3O2S2 and a molecular weight of 385.51 g/mol. Its IUPAC name is 5-acetyl-N-[(3R)-1-(1,3-benzothiazol-2-yl)piperidin-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-acetyl-N-[(3R)-1-(1,3-benzothiazol-2-yl)piperidin-3-yl]thiophene-2-carboxamide
PubChem CID26320561
Molecular FormulaC19H19N3O2S2
Molecular Weight385.51 g/mol
Exact Mass385.09
IUPAC Name5-acetyl-N-[(3R)-1-(1,3-benzothiazol-2-yl)piperidin-3-yl]thiophene-2-carboxamide
SMILESCC(=O)c1ccc(C(=O)N[C@@H]2CCCN(c3nc4ccccc4s3)C2)s1
InChIInChI=1S/C19H19N3O2S2/c1-12(23)15-8-9-17(25-15)18(24)20-13-5-4-10-22(11-13)19-21-14-6-2-3-7-16(14)26-19/h2-3,6-9,13H,4-5,10-11H2,1H3,(H,20,24)/t13-/m1/s1
InChIKeyJAIPDVOBOKNHLS-CYBMUJFWSA-N
XLogP3.96
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-acetyl-N-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]thiophene-2-carboxamide
CID 45228990
N-[(3S)-1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-4-methylthiadiazole-5-carboxamide
CID 25452095
N-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-2-methylsulfanyl-1,3-thiazole-4-carboxamide
CID 45168499
N-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-3-methylbutanamide
CID 56896130
N-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide
CID 45197201
1-[(3R)-1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-3-(3-methoxypropyl)urea
CID 7455185
N-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-3-methyl-1-propylpyrazole-4-carboxamide
CID 45188448
N-[(3S)-1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-3-phenoxypropanamide
CID 42595942
methyl 1-(1,3-benzothiazol-2-yl)piperidine-3-carboxylate
CID 113223222
N-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-3-yl]acetamide
CID 171335662
1-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]ethanol
CID 133397784
1-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 90609959

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-[(3R)-1-(1,3-benzothiazol-2-yl)piperidin-3-yl]thiophene-2-carboxamide?
The IUPAC name of 5-acetyl-N-[(3R)-1-(1,3-benzothiazol-2-yl)piperidin-3-yl]thiophene-2-carboxamide (CID 26320561) is 5-acetyl-N-[(3R)-1-(1,3-benzothiazol-2-yl)piperidin-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-acetyl-N-[(3R)-1-(1,3-benzothiazol-2-yl)piperidin-3-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-acetyl-N-[(3R)-1-(1,3-benzothiazol-2-yl)piperidin-3-yl]thiophene-2-carboxamide is CC(=O)c1ccc(C(=O)N[C@@H]2CCCN(c3nc4ccccc4s3)C2)s1.
What is the InChIKey of 5-acetyl-N-[(3R)-1-(1,3-benzothiazol-2-yl)piperidin-3-yl]thiophene-2-carboxamide?
The InChIKey is JAIPDVOBOKNHLS-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H19N3O2S2/c1-12(23)15-8-9-17(25-15)18(24)20-13-5-4-10-22(11-13)19-21-14-6-2-3-7-16(14)26-19/h2-3,6-9,13H,4-5,10-11H2,1H3,(H,20,24)/t13-/m1/s1.
What are the key properties of 5-acetyl-N-[(3R)-1-(1,3-benzothiazol-2-yl)piperidin-3-yl]thiophene-2-carboxamide?
5-acetyl-N-[(3R)-1-(1,3-benzothiazol-2-yl)piperidin-3-yl]thiophene-2-carboxamide has a molecular weight of 385.51 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-[(3R)-1-(1,3-benzothiazol-2-yl)piperidin-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 26320561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).