N-[6-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-1,3-benzothiazol-2-yl]butanamide

C24H28N4O2S — CID 46289472

IUPACN-[6-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-1,3-benzothiazol-2-yl]butanamide
SMILESCCCC(=O)Nc1nc2ccc(CCC(=O)N3CCN(c4ccccc4)CC3)cc2s1
InChIInChI=1S/C24H28N4O2S/c1-2-6-22(29)26-24-25-20-11-9-18(17-21(20)31-24)10-12-23(30)28-15-13-27(14-16-28)19-7-4-3-5-8-19/h3-5,7-9,11,17H,2,6,10,12-16H2,1H3,(H,25,26,29)
InChIKeyOEKUDRXUZHPLPX-UHFFFAOYSA-N
MW436.58 g/mol
LogP4.32
Rot. Bonds7

About N-[6-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-1,3-benzothiazol-2-yl]butanamide

N-[6-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-1,3-benzothiazol-2-yl]butanamide (PubChem CID 46289472) has the molecular formula C24H28N4O2S and a molecular weight of 436.58 g/mol. Its IUPAC name is N-[6-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-1,3-benzothiazol-2-yl]butanamide.

Molecular Properties

Compound NameN-[6-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-1,3-benzothiazol-2-yl]butanamide
PubChem CID46289472
Molecular FormulaC24H28N4O2S
Molecular Weight436.58 g/mol
Exact Mass436.19
IUPAC NameN-[6-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-1,3-benzothiazol-2-yl]butanamide
SMILESCCCC(=O)Nc1nc2ccc(CCC(=O)N3CCN(c4ccccc4)CC3)cc2s1
InChIInChI=1S/C24H28N4O2S/c1-2-6-22(29)26-24-25-20-11-9-18(17-21(20)31-24)10-12-23(30)28-15-13-27(14-16-28)19-7-4-3-5-8-19/h3-5,7-9,11,17H,2,6,10,12-16H2,1H3,(H,25,26,29)
InChIKeyOEKUDRXUZHPLPX-UHFFFAOYSA-N
XLogP4.32
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.58
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-1,3-benzothiazol-2-yl]butanamide
CID 46289477
N-[6-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-1,3-benzothiazol-2-yl]butanamide
CID 46289496
N-(6-ethyl-1,3-benzothiazol-2-yl)butanamide
CID 2410170
N-[6-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-1,3-benzothiazol-2-yl]acetamide
CID 46289401
N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]-3-phenylpropanamide
CID 108740918
N-(6-methyl-1,3-benzothiazol-2-yl)-3-phenylpropanamide
CID 682912
N-[6-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-benzothiazol-2-yl]acetamide
CID 46289696
N-[6-[2-(2-fluoroanilino)-2-oxoethyl]-1,3-benzothiazol-2-yl]butanamide
CID 46289824
3-(3-methylphenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 127121714
2-(4-phenylpiperazin-1-yl)-N-[2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]acetamide
CID 15180013
N-[6-[3-(4-bromo-2-methylanilino)-3-oxopropyl]-1,3-benzothiazol-2-yl]butanamide
CID 46289504
N-(6-fluoro-1,3-benzothiazol-2-yl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutanamide
CID 35271725

Frequently Asked Questions

What is the IUPAC name of N-[6-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-1,3-benzothiazol-2-yl]butanamide?
The IUPAC name of N-[6-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-1,3-benzothiazol-2-yl]butanamide (CID 46289472) is N-[6-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-1,3-benzothiazol-2-yl]butanamide.
What is the SMILES notation for N-[6-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-1,3-benzothiazol-2-yl]butanamide?
The canonical SMILES for N-[6-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-1,3-benzothiazol-2-yl]butanamide is CCCC(=O)Nc1nc2ccc(CCC(=O)N3CCN(c4ccccc4)CC3)cc2s1.
What is the InChIKey of N-[6-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-1,3-benzothiazol-2-yl]butanamide?
The InChIKey is OEKUDRXUZHPLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2S/c1-2-6-22(29)26-24-25-20-11-9-18(17-21(20)31-24)10-12-23(30)28-15-13-27(14-16-28)19-7-4-3-5-8-19/h3-5,7-9,11,17H,2,6,10,12-16H2,1H3,(H,25,26,29).
What are the key properties of N-[6-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-1,3-benzothiazol-2-yl]butanamide?
N-[6-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-1,3-benzothiazol-2-yl]butanamide has a molecular weight of 436.58 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-1,3-benzothiazol-2-yl]butanamide is sourced from PubChem (CID 46289472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).