2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide

C19H21N3OS2 — CID 646459

IUPAC2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CN1CCC(c2nc3ccccc3s2)CC1)NCc1cccs1
InChIInChI=1S/C19H21N3OS2/c23-18(20-12-15-4-3-11-24-15)13-22-9-7-14(8-10-22)19-21-16-5-1-2-6-17(16)25-19/h1-6,11,14H,7-10,12-13H2,(H,20,23)
InChIKeyQHQOFUHRRNJTSD-UHFFFAOYSA-N
MW371.53 g/mol
LogP3.85
Rot. Bonds5

About 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide

2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 646459) has the molecular formula C19H21N3OS2 and a molecular weight of 371.53 g/mol. Its IUPAC name is 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID646459
Molecular FormulaC19H21N3OS2
Molecular Weight371.53 g/mol
Exact Mass371.11
IUPAC Name2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CN1CCC(c2nc3ccccc3s2)CC1)NCc1cccs1
InChIInChI=1S/C19H21N3OS2/c23-18(20-12-15-4-3-11-24-15)13-22-9-7-14(8-10-22)19-21-16-5-1-2-6-17(16)25-19/h1-6,11,14H,7-10,12-13H2,(H,20,23)
InChIKeyQHQOFUHRRNJTSD-UHFFFAOYSA-N
XLogP3.85
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Benthiavalicarb
CID 20593234
2-(Piperidin-4-yl)-1,3-benzothiazole
CID 1477439
3-((2-Benzothiazolylmethyl)amino)-5-ethyl-6-methylpyridin-2(1H)-one
CID 453437
(1R,2R)-2-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-N-(cyanomethyl)cyclohexane-1-carboxamide
CID 10269099
2-(1,3-benzothiazol-2-ylsulfanyl)-N-cyclopentylacetamide
CID 755801
N-[3-(1,3-benzothiazol-2-yl)-4-methyl-2-thienyl]acetamide
CID 2809628
N,N'-Bis(2-benzothiazolylmercaptomethyl)urea
CID 219064
N-[1-(6-Fluoro-1,3-benzothiazol-2-yl)ethyl]acetamide
CID 86085348
N-[4-(1,3-benzothiazol-2-yl)phenyl]-1-(thiophene-2-sulfonyl)piperidine-4-carboxamide
CID 16830520
N-(3-(benzo[d]thiazol-2-yl)-6-isopropyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)acetamide hydrochloride
CID 16195022
(S)-2-amino-N-((S)-2-(benzo[d]thiazol-2-yl)-1-cyanoethyl)-3-(thiophen-2-yl)propanamide
CID 46883430
N-[4-(1,3-benzothiazol-2-yl)benzyl]acetamide
CID 851565

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide (CID 646459) is 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide is O=C(CN1CCC(c2nc3ccccc3s2)CC1)NCc1cccs1.
What is the InChIKey of 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is QHQOFUHRRNJTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3OS2/c23-18(20-12-15-4-3-11-24-15)13-22-9-7-14(8-10-22)19-21-16-5-1-2-6-17(16)25-19/h1-6,11,14H,7-10,12-13H2,(H,20,23).
What are the key properties of 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 371.53 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 646459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).