N-(1,3-benzothiazol-6-yl)-2-piperidin-4-ylsulfanylacetamide

C14H17N3OS2 — CID 107805145

IUPACN-(1,3-benzothiazol-6-yl)-2-piperidin-4-ylsulfanylacetamide
SMILESO=C(CSC1CCNCC1)Nc1ccc2ncsc2c1
InChIInChI=1S/C14H17N3OS2/c18-14(8-19-11-3-5-15-6-4-11)17-10-1-2-12-13(7-10)20-9-16-12/h1-2,7,9,11,15H,3-6,8H2,(H,17,18)
InChIKeyVJDHUHXOWTXHHD-UHFFFAOYSA-N
MW307.44 g/mol
LogP2.72
Rot. Bonds4

About N-(1,3-benzothiazol-6-yl)-2-piperidin-4-ylsulfanylacetamide

N-(1,3-benzothiazol-6-yl)-2-piperidin-4-ylsulfanylacetamide (PubChem CID 107805145) has the molecular formula C14H17N3OS2 and a molecular weight of 307.44 g/mol. Its IUPAC name is N-(1,3-benzothiazol-6-yl)-2-piperidin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-6-yl)-2-piperidin-4-ylsulfanylacetamide
PubChem CID107805145
Molecular FormulaC14H17N3OS2
Molecular Weight307.44 g/mol
Exact Mass307.08
IUPAC NameN-(1,3-benzothiazol-6-yl)-2-piperidin-4-ylsulfanylacetamide
SMILESO=C(CSC1CCNCC1)Nc1ccc2ncsc2c1
InChIInChI=1S/C14H17N3OS2/c18-14(8-19-11-3-5-15-6-4-11)17-10-1-2-12-13(7-10)20-9-16-12/h1-2,7,9,11,15H,3-6,8H2,(H,17,18)
InChIKeyVJDHUHXOWTXHHD-UHFFFAOYSA-N
XLogP2.72
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-6-yl)-2-piperidin-4-ylsulfanylacetamide?
The IUPAC name of N-(1,3-benzothiazol-6-yl)-2-piperidin-4-ylsulfanylacetamide (CID 107805145) is N-(1,3-benzothiazol-6-yl)-2-piperidin-4-ylsulfanylacetamide.
What is the SMILES notation for N-(1,3-benzothiazol-6-yl)-2-piperidin-4-ylsulfanylacetamide?
The canonical SMILES for N-(1,3-benzothiazol-6-yl)-2-piperidin-4-ylsulfanylacetamide is O=C(CSC1CCNCC1)Nc1ccc2ncsc2c1.
What is the InChIKey of N-(1,3-benzothiazol-6-yl)-2-piperidin-4-ylsulfanylacetamide?
The InChIKey is VJDHUHXOWTXHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS2/c18-14(8-19-11-3-5-15-6-4-11)17-10-1-2-12-13(7-10)20-9-16-12/h1-2,7,9,11,15H,3-6,8H2,(H,17,18).
What are the key properties of N-(1,3-benzothiazol-6-yl)-2-piperidin-4-ylsulfanylacetamide?
N-(1,3-benzothiazol-6-yl)-2-piperidin-4-ylsulfanylacetamide has a molecular weight of 307.44 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-6-yl)-2-piperidin-4-ylsulfanylacetamide is sourced from PubChem (CID 107805145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).