TWWJAOFWTFXPRC-HOCLYGCPSA-N

Name: TWWJAOFWTFXPRC-HOCLYGCPSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₂H₂₄FN₃O₃S — CID 122438920

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

IUPACN-[(1S,2S)-2-[(6-fluoro-1,3-benzothiazol-2-yl)-methylamino]cyclopentyl]-2,6-dimethoxybenzamide

SMILESCOc1cccc(OC)c1C(=O)N[C@H]1CCC[C@@H]1N(C)c1nc2ccc(F)cc2s1

InChIInChI=1S/C22H24FN3O3S/c1-26(22-25-15-11-10-13(23)12-19(15)30-22)16-7-4-6-14(16)24-21(27)20-17(28-2)8-5-9-18(20)29-3/h5,8-12,14,16H,4,6-7H2,1-3H3,(H,24,27)/t14-,16-/m0/s1

InChIKeyTWWJAOFWTFXPRC-HOCLYGCPSA-N

MW429.52 g/mol

LogP4.24

Rot. Bonds6

About TWWJAOFWTFXPRC-HOCLYGCPSA-N

TWWJAOFWTFXPRC-HOCLYGCPSA-N (PubChem CID 122438920) has the molecular formula C₂₂H₂₄FN₃O₃S and a molecular weight of 429.52 g/mol. Its IUPAC name is N-[(1S,2S)-2-[(6-fluoro-1,3-benzothiazol-2-yl)-methylamino]cyclopentyl]-2,6-dimethoxybenzamide.

Molecular Properties

Compound Name	TWWJAOFWTFXPRC-HOCLYGCPSA-N
PubChem CID	122438920
Molecular Formula	C₂₂H₂₄FN₃O₃S
Molecular Weight	429.52 g/mol
Exact Mass	429.15
IUPAC Name	N-[(1S,2S)-2-[(6-fluoro-1,3-benzothiazol-2-yl)-methylamino]cyclopentyl]-2,6-dimethoxybenzamide
SMILES	COc1cccc(OC)c1C(=O)N[C@H]1CCC[C@@H]1N(C)c1nc2ccc(F)cc2s1
InChI	InChI=1S/C22H24FN3O3S/c1-26(22-25-15-11-10-13(23)12-19(15)30-22)16-7-4-6-14(16)24-21(27)20-17(28-2)8-5-9-18(20)29-3/h5,8-12,14,16H,4,6-7H2,1-3H3,(H,24,27)/t14-,16-/m0/s1
InChIKey	TWWJAOFWTFXPRC-HOCLYGCPSA-N
XLogP	4.24
TPSA	63.69 Å²
H-Bond Donors	1
H-Bond Acceptors	6
Rotatable Bonds	6
Heavy Atoms	30
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.52
LogP ≤ 5	4.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of TWWJAOFWTFXPRC-HOCLYGCPSA-N?

The IUPAC name of TWWJAOFWTFXPRC-HOCLYGCPSA-N (CID 122438920) is N-[(1S,2S)-2-[(6-fluoro-1,3-benzothiazol-2-yl)-methylamino]cyclopentyl]-2,6-dimethoxybenzamide.

What is the SMILES notation for TWWJAOFWTFXPRC-HOCLYGCPSA-N?

The canonical SMILES for TWWJAOFWTFXPRC-HOCLYGCPSA-N is COc1cccc(OC)c1C(=O)N[C@H]1CCC[C@@H]1N(C)c1nc2ccc(F)cc2s1.

What is the InChIKey of TWWJAOFWTFXPRC-HOCLYGCPSA-N?

The InChIKey is TWWJAOFWTFXPRC-HOCLYGCPSA-N. The full InChI is InChI=1S/C22H24FN3O3S/c1-26(22-25-15-11-10-13(23)12-19(15)30-22)16-7-4-6-14(16)24-21(27)20-17(28-2)8-5-9-18(20)29-3/h5,8-12,14,16H,4,6-7H2,1-3H3,(H,24,27)/t14-,16-/m0/s1.

What are the key properties of TWWJAOFWTFXPRC-HOCLYGCPSA-N?

TWWJAOFWTFXPRC-HOCLYGCPSA-N has a molecular weight of 429.52 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for TWWJAOFWTFXPRC-HOCLYGCPSA-N is sourced from PubChem (CID 122438920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 122438920 — identifiers, structure, computed properties (public domain)

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