3-[2-(dimethylamino)ethyl]-6-pentanoyl-1,3-benzothiazol-2-one

Name: 3-[2-(dimethylamino)ethyl]-6-pentanoyl-1,3-benzothiazol-2-one — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₆H₂₂N₂O₂S — CID 10614630

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC3-[2-(dimethylamino)ethyl]-6-pentanoyl-1,3-benzothiazol-2-one

SMILESCCCCC(=O)c1ccc2c(c1)sc(=O)n2CCN(C)C

InChIInChI=1S/C16H22N2O2S/c1-4-5-6-14(19)12-7-8-13-15(11-12)21-16(20)18(13)10-9-17(2)3/h7-8,11H,4-6,9-10H2,1-3H3

InChIKeyFDDDNMGLWCABNI-UHFFFAOYSA-N

MW306.43 g/mol

LogP3.00

Rot. Bonds7

About 3-[2-(dimethylamino)ethyl]-6-pentanoyl-1,3-benzothiazol-2-one

3-[2-(dimethylamino)ethyl]-6-pentanoyl-1,3-benzothiazol-2-one (PubChem CID 10614630) has the molecular formula C₁₆H₂₂N₂O₂S and a molecular weight of 306.43 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl]-6-pentanoyl-1,3-benzothiazol-2-one.

Molecular Properties

Compound Name	3-[2-(dimethylamino)ethyl]-6-pentanoyl-1,3-benzothiazol-2-one
PubChem CID	10614630
Molecular Formula	C₁₆H₂₂N₂O₂S
Molecular Weight	306.43 g/mol
Exact Mass	306.14
IUPAC Name	3-[2-(dimethylamino)ethyl]-6-pentanoyl-1,3-benzothiazol-2-one
SMILES	CCCCC(=O)c1ccc2c(c1)sc(=O)n2CCN(C)C
InChI	InChI=1S/C16H22N2O2S/c1-4-5-6-14(19)12-7-8-13-15(11-12)21-16(20)18(13)10-9-17(2)3/h7-8,11H,4-6,9-10H2,1-3H3
InChIKey	FDDDNMGLWCABNI-UHFFFAOYSA-N
XLogP	3.00
TPSA	42.31 Å²
H-Bond Donors
H-Bond Acceptors	5
Rotatable Bonds	7
Heavy Atoms	21
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	306.43
LogP ≤ 5	3.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyl]-6-pentanoyl-1,3-benzothiazol-2-one?

The IUPAC name of 3-[2-(dimethylamino)ethyl]-6-pentanoyl-1,3-benzothiazol-2-one (CID 10614630) is 3-[2-(dimethylamino)ethyl]-6-pentanoyl-1,3-benzothiazol-2-one.

What is the SMILES notation for 3-[2-(dimethylamino)ethyl]-6-pentanoyl-1,3-benzothiazol-2-one?

The canonical SMILES for 3-[2-(dimethylamino)ethyl]-6-pentanoyl-1,3-benzothiazol-2-one is CCCCC(=O)c1ccc2c(c1)sc(=O)n2CCN(C)C.

What is the InChIKey of 3-[2-(dimethylamino)ethyl]-6-pentanoyl-1,3-benzothiazol-2-one?

The InChIKey is FDDDNMGLWCABNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-4-5-6-14(19)12-7-8-13-15(11-12)21-16(20)18(13)10-9-17(2)3/h7-8,11H,4-6,9-10H2,1-3H3.

What are the key properties of 3-[2-(dimethylamino)ethyl]-6-pentanoyl-1,3-benzothiazol-2-one?

3-[2-(dimethylamino)ethyl]-6-pentanoyl-1,3-benzothiazol-2-one has a molecular weight of 306.43 g/mol, XLogP of 3.00, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-(dimethylamino)ethyl]-6-pentanoyl-1,3-benzothiazol-2-one is sourced from PubChem (CID 10614630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 10614630 — identifiers, structure, computed properties (public domain)

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