N-[2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-4-methylthiadiazole-5-carboxamide

C23H24N6OS2 — CID 91201499

IUPACN-[2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1ccccc1CCN1CCN(c2nsc3ccccc23)CC1
InChIInChI=1S/C23H24N6OS2/c1-16-21(32-27-25-16)23(30)24-19-8-4-2-6-17(19)10-11-28-12-14-29(15-13-28)22-18-7-3-5-9-20(18)31-26-22/h2-9H,10-15H2,1H3,(H,24,30)
InChIKeyGVYMCODGYMHGSA-UHFFFAOYSA-N
MW464.62 g/mol
LogP4.07
Rot. Bonds6

About N-[2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-4-methylthiadiazole-5-carboxamide

N-[2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-4-methylthiadiazole-5-carboxamide (PubChem CID 91201499) has the molecular formula C23H24N6OS2 and a molecular weight of 464.62 g/mol. Its IUPAC name is N-[2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-4-methylthiadiazole-5-carboxamide
PubChem CID91201499
Molecular FormulaC23H24N6OS2
Molecular Weight464.62 g/mol
Exact Mass464.15
IUPAC NameN-[2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1ccccc1CCN1CCN(c2nsc3ccccc23)CC1
InChIInChI=1S/C23H24N6OS2/c1-16-21(32-27-25-16)23(30)24-19-8-4-2-6-17(19)10-11-28-12-14-29(15-13-28)22-18-7-3-5-9-20(18)31-26-22/h2-9H,10-15H2,1H3,(H,24,30)
InChIKeyGVYMCODGYMHGSA-UHFFFAOYSA-N
XLogP4.07
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.62
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-2,5-dimethylfuran-3-carboxamide
CID 91069215
N-[2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]cyclopentanecarboxamide
CID 91497065
N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-2-hydrazinylbenzamide;hydrate;dihydrochloride
CID 67885546
2-methylpropyl N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]carbamate
CID 91570648
N-[2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide
CID 91533390
N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-5-chloro-1-methylpyrazole-4-carboxamide
CID 91468418
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1-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-3-(4-methylpiperazin-1-yl)propan-1-one
CID 46968893
4-acetamido-N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]benzamide;hydrochloride
CID 45259400
N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]pyridine-2-carboxamide;hydrochloride
CID 67841314
tert-butyl N-[6-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butylcarbamoyl](1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl]carbamate
CID 10506005
3-[4-[2-(6-chloro-2,3-dihydro-1H-indol-5-yl)ethyl]piperazin-1-yl]-1,2-benzothiazole;methanesulfonic acid;trihydrate
CID 172702111

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-[2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-4-methylthiadiazole-5-carboxamide (CID 91201499) is N-[2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-[2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-4-methylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)Nc1ccccc1CCN1CCN(c2nsc3ccccc23)CC1.
What is the InChIKey of N-[2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-4-methylthiadiazole-5-carboxamide?
The InChIKey is GVYMCODGYMHGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6OS2/c1-16-21(32-27-25-16)23(30)24-19-8-4-2-6-17(19)10-11-28-12-14-29(15-13-28)22-18-7-3-5-9-20(18)31-26-22/h2-9H,10-15H2,1H3,(H,24,30).
What are the key properties of N-[2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-4-methylthiadiazole-5-carboxamide?
N-[2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-4-methylthiadiazole-5-carboxamide has a molecular weight of 464.62 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 91201499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).