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

C24H25ClN6OS — CID 91468418

IUPACN-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-5-chloro-1-methylpyrazole-4-carboxamide
SMILESCn1ncc(C(=O)Nc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc2)c1Cl
InChIInChI=1S/C24H25ClN6OS/c1-29-22(25)20(16-26-29)24(32)27-18-8-6-17(7-9-18)10-11-30-12-14-31(15-13-30)23-19-4-2-3-5-21(19)33-28-23/h2-9,16H,10-15H2,1H3,(H,27,32)
InChIKeyBEHULQVEPOPJGG-UHFFFAOYSA-N
MW481.03 g/mol
LogP4.30
Rot. Bonds6

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

N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-5-chloro-1-methylpyrazole-4-carboxamide (PubChem CID 91468418) has the molecular formula C24H25ClN6OS and a molecular weight of 481.03 g/mol. Its IUPAC name is N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-5-chloro-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-5-chloro-1-methylpyrazole-4-carboxamide
PubChem CID91468418
Molecular FormulaC24H25ClN6OS
Molecular Weight481.03 g/mol
Exact Mass480.15
IUPAC NameN-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-5-chloro-1-methylpyrazole-4-carboxamide
SMILESCn1ncc(C(=O)Nc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc2)c1Cl
InChIInChI=1S/C24H25ClN6OS/c1-29-22(25)20(16-26-29)24(32)27-18-8-6-17(7-9-18)10-11-30-12-14-31(15-13-30)23-19-4-2-3-5-21(19)33-28-23/h2-9,16H,10-15H2,1H3,(H,27,32)
InChIKeyBEHULQVEPOPJGG-UHFFFAOYSA-N
XLogP4.30
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.03
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-methylpropyl N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]carbamate
CID 91570648
4-acetamido-N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]benzamide;hydrochloride
CID 45259400
1-[7-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2,3,4,5-tetrahydro-1-benzazepin-1-yl]ethanone
CID 11495771
N-[2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-2,5-dimethylfuran-3-carboxamide
CID 91069215
N-[(2S)-5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2,3-dihydro-1H-inden-2-yl]propanamide
CID 11270474
N-[2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-4-methylthiadiazole-5-carboxamide
CID 91201499
N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]pyridine-2-carboxamide;hydrochloride
CID 67841314
N-(4-acetamidophenyl)-5-chloro-1-methylpyrazole-4-carboxamide
CID 75538051
tert-butyl N-[4-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butylcarbamoyl]phenyl]carbamate;hydrochloride
CID 45259399
5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-1-chloro-3H-indol-2-one;hydrochloride
CID 21196262
2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethanamine
CID 66801585
1-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-3-(4-methylpiperazin-1-yl)propan-1-one
CID 46968893

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-5-chloro-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-5-chloro-1-methylpyrazole-4-carboxamide (CID 91468418) is N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-5-chloro-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-5-chloro-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-5-chloro-1-methylpyrazole-4-carboxamide is Cn1ncc(C(=O)Nc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc2)c1Cl.
What is the InChIKey of N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-5-chloro-1-methylpyrazole-4-carboxamide?
The InChIKey is BEHULQVEPOPJGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN6OS/c1-29-22(25)20(16-26-29)24(32)27-18-8-6-17(7-9-18)10-11-30-12-14-31(15-13-30)23-19-4-2-3-5-21(19)33-28-23/h2-9,16H,10-15H2,1H3,(H,27,32).
What are the key properties of N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-5-chloro-1-methylpyrazole-4-carboxamide?
N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-5-chloro-1-methylpyrazole-4-carboxamide has a molecular weight of 481.03 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-5-chloro-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 91468418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).