(2R)-2-(4-ethylpiperazin-1-yl)-N-(6-fluoro-1,3-benzothiazol-2-yl)propanamide

C16H21FN4OS — CID 95908915

IUPAC(2R)-2-(4-ethylpiperazin-1-yl)-N-(6-fluoro-1,3-benzothiazol-2-yl)propanamide
SMILESCCN1CCN([C@H](C)C(=O)Nc2nc3ccc(F)cc3s2)CC1
InChIInChI=1S/C16H21FN4OS/c1-3-20-6-8-21(9-7-20)11(2)15(22)19-16-18-13-5-4-12(17)10-14(13)23-16/h4-5,10-11H,3,6-9H2,1-2H3,(H,18,19,22)/t11-/m1/s1
InChIKeyJWVILYZPTBEBCV-LLVKDONJSA-N
MW336.44 g/mol
LogP2.40
Rot. Bonds4

About (2R)-2-(4-ethylpiperazin-1-yl)-N-(6-fluoro-1,3-benzothiazol-2-yl)propanamide

(2R)-2-(4-ethylpiperazin-1-yl)-N-(6-fluoro-1,3-benzothiazol-2-yl)propanamide (PubChem CID 95908915) has the molecular formula C16H21FN4OS and a molecular weight of 336.44 g/mol. Its IUPAC name is (2R)-2-(4-ethylpiperazin-1-yl)-N-(6-fluoro-1,3-benzothiazol-2-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4-ethylpiperazin-1-yl)-N-(6-fluoro-1,3-benzothiazol-2-yl)propanamide
PubChem CID95908915
Molecular FormulaC16H21FN4OS
Molecular Weight336.44 g/mol
Exact Mass336.14
IUPAC Name(2R)-2-(4-ethylpiperazin-1-yl)-N-(6-fluoro-1,3-benzothiazol-2-yl)propanamide
SMILESCCN1CCN([C@H](C)C(=O)Nc2nc3ccc(F)cc3s2)CC1
InChIInChI=1S/C16H21FN4OS/c1-3-20-6-8-21(9-7-20)11(2)15(22)19-16-18-13-5-4-12(17)10-14(13)23-16/h4-5,10-11H,3,6-9H2,1-2H3,(H,18,19,22)/t11-/m1/s1
InChIKeyJWVILYZPTBEBCV-LLVKDONJSA-N
XLogP2.40
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylbutanamide
CID 24625327
N-(1,3-benzothiazol-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 50875700
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-(6-fluoro-1,3-benzothiazol-2-yl)propanamide
CID 8750662
(2R)-2-bromo-N-(6-fluoro-1,3-benzothiazol-2-yl)pentanamide
CID 28662479
2-(4-methylpiperazin-1-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide
CID 3229460
2-(benzimidazol-1-yl)-N-(6-fluoro-1,3-benzothiazol-2-yl)propanamide
CID 43063903
2-[ethyl(2-methylprop-2-enyl)amino]-N-(6-fluoro-1,3-benzothiazol-2-yl)propanamide
CID 112810877
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-hydroxypiperidin-1-yl)acetamide
CID 110881885
N-(6-fluoro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
CID 4228851
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
CID 54466738
(2R)-2-(4-ethylpiperazin-1-yl)-N-(3-fluoro-4-methylphenyl)propanamide
CID 30623055
2-bromo-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylpropanamide
CID 17244819

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-ethylpiperazin-1-yl)-N-(6-fluoro-1,3-benzothiazol-2-yl)propanamide?
The IUPAC name of (2R)-2-(4-ethylpiperazin-1-yl)-N-(6-fluoro-1,3-benzothiazol-2-yl)propanamide (CID 95908915) is (2R)-2-(4-ethylpiperazin-1-yl)-N-(6-fluoro-1,3-benzothiazol-2-yl)propanamide.
What is the SMILES notation for (2R)-2-(4-ethylpiperazin-1-yl)-N-(6-fluoro-1,3-benzothiazol-2-yl)propanamide?
The canonical SMILES for (2R)-2-(4-ethylpiperazin-1-yl)-N-(6-fluoro-1,3-benzothiazol-2-yl)propanamide is CCN1CCN([C@H](C)C(=O)Nc2nc3ccc(F)cc3s2)CC1.
What is the InChIKey of (2R)-2-(4-ethylpiperazin-1-yl)-N-(6-fluoro-1,3-benzothiazol-2-yl)propanamide?
The InChIKey is JWVILYZPTBEBCV-LLVKDONJSA-N. The full InChI is InChI=1S/C16H21FN4OS/c1-3-20-6-8-21(9-7-20)11(2)15(22)19-16-18-13-5-4-12(17)10-14(13)23-16/h4-5,10-11H,3,6-9H2,1-2H3,(H,18,19,22)/t11-/m1/s1.
What are the key properties of (2R)-2-(4-ethylpiperazin-1-yl)-N-(6-fluoro-1,3-benzothiazol-2-yl)propanamide?
(2R)-2-(4-ethylpiperazin-1-yl)-N-(6-fluoro-1,3-benzothiazol-2-yl)propanamide has a molecular weight of 336.44 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-ethylpiperazin-1-yl)-N-(6-fluoro-1,3-benzothiazol-2-yl)propanamide is sourced from PubChem (CID 95908915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).