N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]-1,2-benzothiazole-3-carboxamide

C26H24N4O3S — CID 53091519

IUPACN-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]-1,2-benzothiazole-3-carboxamide
SMILESCOc1ccc(N2CCN(C(=O)c3ccccc3NC(=O)c3nsc4ccccc34)CC2)cc1
InChIInChI=1S/C26H24N4O3S/c1-33-19-12-10-18(11-13-19)29-14-16-30(17-15-29)26(32)20-6-2-4-8-22(20)27-25(31)24-21-7-3-5-9-23(21)34-28-24/h2-13H,14-17H2,1H3,(H,27,31)
InChIKeyNIIPWJRINUKTIN-UHFFFAOYSA-N
MW472.57 g/mol
LogP4.52
Rot. Bonds5

About N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]-1,2-benzothiazole-3-carboxamide

N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]-1,2-benzothiazole-3-carboxamide (PubChem CID 53091519) has the molecular formula C26H24N4O3S and a molecular weight of 472.57 g/mol. Its IUPAC name is N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]-1,2-benzothiazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]-1,2-benzothiazole-3-carboxamide
PubChem CID53091519
Molecular FormulaC26H24N4O3S
Molecular Weight472.57 g/mol
Exact Mass472.16
IUPAC NameN-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]-1,2-benzothiazole-3-carboxamide
SMILESCOc1ccc(N2CCN(C(=O)c3ccccc3NC(=O)c3nsc4ccccc34)CC2)cc1
InChIInChI=1S/C26H24N4O3S/c1-33-19-12-10-18(11-13-19)29-14-16-30(17-15-29)26(32)20-6-2-4-8-22(20)27-25(31)24-21-7-3-5-9-23(21)34-28-24/h2-13H,14-17H2,1H3,(H,27,31)
InChIKeyNIIPWJRINUKTIN-UHFFFAOYSA-N
XLogP4.52
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.57
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]benzamide
CID 55376450
N-[2-[4-(4-methoxyphenyl)-1,4-diazepane-1-carbonyl]phenyl]thiophene-3-carboxamide
CID 55982546
N-[5-[4-(4-chlorophenyl)piperazine-1-carbonyl]-2-methylphenyl]-1,2-benzothiazole-3-carboxamide
CID 53091485
N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]-6-methyl-2,3-dihydro-1,4-oxathiine-5-carboxamide
CID 22553802
[4-(1,2-benzothiazole-3-carbonyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 46321793
(2-methoxyphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 937879
N-[2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]-4-methoxybenzamide
CID 2193293
[4-(4-methoxyphenyl)piperazin-1-yl]-(2-phenylphenyl)methanone
CID 2948850
4-methoxy-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide
CID 1056093
[4-(4-methoxyphenyl)piperazin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone
CID 2091587
4-methoxy-N-[2-(piperazine-1-carbonyl)phenyl]benzamide
CID 119403655
4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1H-quinolin-2-one
CID 2102546

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]-1,2-benzothiazole-3-carboxamide?
The IUPAC name of N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]-1,2-benzothiazole-3-carboxamide (CID 53091519) is N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]-1,2-benzothiazole-3-carboxamide.
What is the SMILES notation for N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]-1,2-benzothiazole-3-carboxamide?
The canonical SMILES for N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]-1,2-benzothiazole-3-carboxamide is COc1ccc(N2CCN(C(=O)c3ccccc3NC(=O)c3nsc4ccccc34)CC2)cc1.
What is the InChIKey of N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]-1,2-benzothiazole-3-carboxamide?
The InChIKey is NIIPWJRINUKTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O3S/c1-33-19-12-10-18(11-13-19)29-14-16-30(17-15-29)26(32)20-6-2-4-8-22(20)27-25(31)24-21-7-3-5-9-23(21)34-28-24/h2-13H,14-17H2,1H3,(H,27,31).
What are the key properties of N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]-1,2-benzothiazole-3-carboxamide?
N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]-1,2-benzothiazole-3-carboxamide has a molecular weight of 472.57 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]-1,2-benzothiazole-3-carboxamide is sourced from PubChem (CID 53091519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).