N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-N-methyl-1,2-benzothiazole-3-carboxamide

C23H28N4O2S — CID 10342321

IUPACN-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-N-methyl-1,2-benzothiazole-3-carboxamide
SMILESCOc1ccccc1N1CCN(CCCN(C)C(=O)c2nsc3ccccc23)CC1
InChIInChI=1S/C23H28N4O2S/c1-25(23(28)22-18-8-3-6-11-21(18)30-24-22)12-7-13-26-14-16-27(17-15-26)19-9-4-5-10-20(19)29-2/h3-6,8-11H,7,12-17H2,1-2H3
InChIKeyNXHJZSQUERIEOI-UHFFFAOYSA-N
MW424.57 g/mol
LogP3.59
Rot. Bonds7

About N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-N-methyl-1,2-benzothiazole-3-carboxamide

N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-N-methyl-1,2-benzothiazole-3-carboxamide (PubChem CID 10342321) has the molecular formula C23H28N4O2S and a molecular weight of 424.57 g/mol. Its IUPAC name is N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-N-methyl-1,2-benzothiazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-N-methyl-1,2-benzothiazole-3-carboxamide
PubChem CID10342321
Molecular FormulaC23H28N4O2S
Molecular Weight424.57 g/mol
Exact Mass424.19
IUPAC NameN-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-N-methyl-1,2-benzothiazole-3-carboxamide
SMILESCOc1ccccc1N1CCN(CCCN(C)C(=O)c2nsc3ccccc23)CC1
InChIInChI=1S/C23H28N4O2S/c1-25(23(28)22-18-8-3-6-11-21(18)30-24-22)12-7-13-26-14-16-27(17-15-26)19-9-4-5-10-20(19)29-2/h3-6,8-11H,7,12-17H2,1-2H3
InChIKeyNXHJZSQUERIEOI-UHFFFAOYSA-N
XLogP3.59
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.57
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-N-methyl-1,2-benzothiazole-3-carboxamide
CID 10003321
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2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl-methylamino]-N,N-dimethylpyridine-3-carboxamide;hydrochloride
CID 21473475
2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanol;dihydrochloride
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1-carbazol-9-yl-7-[4-(2-methoxyphenyl)piperazin-1-yl]heptan-1-one
CID 122498630
3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine
CID 10467259
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CID 162643558
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CID 44538852
3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 10849160
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]thiophene-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-N-methyl-1,2-benzothiazole-3-carboxamide?
The IUPAC name of N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-N-methyl-1,2-benzothiazole-3-carboxamide (CID 10342321) is N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-N-methyl-1,2-benzothiazole-3-carboxamide.
What is the SMILES notation for N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-N-methyl-1,2-benzothiazole-3-carboxamide?
The canonical SMILES for N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-N-methyl-1,2-benzothiazole-3-carboxamide is COc1ccccc1N1CCN(CCCN(C)C(=O)c2nsc3ccccc23)CC1.
What is the InChIKey of N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-N-methyl-1,2-benzothiazole-3-carboxamide?
The InChIKey is NXHJZSQUERIEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2S/c1-25(23(28)22-18-8-3-6-11-21(18)30-24-22)12-7-13-26-14-16-27(17-15-26)19-9-4-5-10-20(19)29-2/h3-6,8-11H,7,12-17H2,1-2H3.
What are the key properties of N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-N-methyl-1,2-benzothiazole-3-carboxamide?
N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-N-methyl-1,2-benzothiazole-3-carboxamide has a molecular weight of 424.57 g/mol, XLogP of 3.59, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-N-methyl-1,2-benzothiazole-3-carboxamide is sourced from PubChem (CID 10342321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).