N-(1,3-benzothiazol-2-yl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide

C16H19N3O2S2 — CID 8882198

IUPACN-(1,3-benzothiazol-2-yl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide
SMILESO=C(CSCC(=O)N1CCCCC1)Nc1nc2ccccc2s1
InChIInChI=1S/C16H19N3O2S2/c20-14(10-22-11-15(21)19-8-4-1-5-9-19)18-16-17-12-6-2-3-7-13(12)23-16/h2-3,6-7H,1,4-5,8-11H2,(H,17,18,20)
InChIKeyBNYOKTRMEHFRFC-UHFFFAOYSA-N
MW349.48 g/mol
LogP2.98
Rot. Bonds5

About N-(1,3-benzothiazol-2-yl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide

N-(1,3-benzothiazol-2-yl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide (PubChem CID 8882198) has the molecular formula C16H19N3O2S2 and a molecular weight of 349.48 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide
PubChem CID8882198
Molecular FormulaC16H19N3O2S2
Molecular Weight349.48 g/mol
Exact Mass349.09
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide
SMILESO=C(CSCC(=O)N1CCCCC1)Nc1nc2ccccc2s1
InChIInChI=1S/C16H19N3O2S2/c20-14(10-22-11-15(21)19-8-4-1-5-9-19)18-16-17-12-6-2-3-7-13(12)23-16/h2-3,6-7H,1,4-5,8-11H2,(H,17,18,20)
InChIKeyBNYOKTRMEHFRFC-UHFFFAOYSA-N
XLogP2.98
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,3-benzothiazol-2-yl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea
CID 47018268
2-(1,3-benzothiazol-2-ylamino)-1-pyrrolidin-1-ylethanone
CID 112683781
N-(1,3-benzothiazol-2-yl)-2-piperidin-1-ylacetamide
CID 788494
2-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-N-naphthalen-1-ylacetamide
CID 9457671
N-(1,3-benzothiazol-2-yl)-2-[2-[(4,5-diphenyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylacetamide
CID 2158872
N-(1,3-benzothiazol-2-yl)-1-propanoylpiperidine-3-carboxamide
CID 60527440
phenacyl 2-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanylacetate
CID 6500447
N-(1,3-benzothiazol-2-yl)-2-cyclohexylacetamide
CID 806702
3-(1,3-benzothiazol-2-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 60629326
2-[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
CID 27782474
N-(1,3-benzothiazol-2-yl)-2-(1-hydroxycyclohexyl)acetamide
CID 111536402
N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 55368463

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide (CID 8882198) is N-(1,3-benzothiazol-2-yl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide is O=C(CSCC(=O)N1CCCCC1)Nc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide?
The InChIKey is BNYOKTRMEHFRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S2/c20-14(10-22-11-15(21)19-8-4-1-5-9-19)18-16-17-12-6-2-3-7-13(12)23-16/h2-3,6-7H,1,4-5,8-11H2,(H,17,18,20).
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide?
N-(1,3-benzothiazol-2-yl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide has a molecular weight of 349.48 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide is sourced from PubChem (CID 8882198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).