6-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-1,3-benzothiazol-2-amine

C21H22N4S2 — CID 138374893

IUPAC6-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-1,3-benzothiazol-2-amine
SMILESNc1nc2ccc(CCN3CCN(c4cccc5sccc45)CC3)cc2s1
InChIInChI=1S/C21H22N4S2/c22-21-23-17-5-4-15(14-20(17)27-21)6-8-24-9-11-25(12-10-24)18-2-1-3-19-16(18)7-13-26-19/h1-5,7,13-14H,6,8-12H2,(H2,22,23)
InChIKeyNFPWRHWDAIDXGI-UHFFFAOYSA-N
MW394.57 g/mol
LogP4.46
Rot. Bonds4

About 6-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-1,3-benzothiazol-2-amine

6-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-1,3-benzothiazol-2-amine (PubChem CID 138374893) has the molecular formula C21H22N4S2 and a molecular weight of 394.57 g/mol. Its IUPAC name is 6-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-1,3-benzothiazol-2-amine
PubChem CID138374893
Molecular FormulaC21H22N4S2
Molecular Weight394.57 g/mol
Exact Mass394.13
IUPAC Name6-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-1,3-benzothiazol-2-amine
SMILESNc1nc2ccc(CCN3CCN(c4cccc5sccc45)CC3)cc2s1
InChIInChI=1S/C21H22N4S2/c22-21-23-17-5-4-15(14-20(17)27-21)6-8-24-9-11-25(12-10-24)18-2-1-3-19-16(18)7-13-26-19/h1-5,7,13-14H,6,8-12H2,(H2,22,23)
InChIKeyNFPWRHWDAIDXGI-UHFFFAOYSA-N
XLogP4.46
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.57
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-1,3-benzothiazol-2-amine with MolForge

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Related Compounds

6-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-1,3-benzothiazole
CID 138374857
2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethanamine
CID 91076986
7-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-3,4-dihydro-1H-quinoline-2-thione
CID 129186535
7-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 138374883
7-[5-[4-(1-benzothiophen-4-yl)piperazin-1-yl]pentyl]-1H-quinolin-2-one
CID 126682543
5-[4-[2-(2-amino-1,3-benzothiazol-6-yl)ethyl]piperazin-1-yl]-1-benzofuran-2-carboxamide
CID 177379740
4-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-10,15-dioxa-1-azatricyclo[7.6.1.02,7]hexadeca-2(7),3,5,8-tetraene-11,14,16-trione
CID 153375836
4-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethyl]cyclohex-3-en-1-amine
CID 156734238
[4-[4-(2-phenylethyl)piperazin-1-yl]-1-benzothiophen-2-yl]methanamine;dihydrochloride
CID 19919596
2-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butyl]-3,4-dihydro-1H-isoquinoline
CID 69468370
7-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butoxy]quinoline
CID 122172695
6-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propoxy]isoquinoline
CID 155803097

Frequently Asked Questions

What is the IUPAC name of 6-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-1,3-benzothiazol-2-amine?
The IUPAC name of 6-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-1,3-benzothiazol-2-amine (CID 138374893) is 6-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-1,3-benzothiazol-2-amine is Nc1nc2ccc(CCN3CCN(c4cccc5sccc45)CC3)cc2s1.
What is the InChIKey of 6-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-1,3-benzothiazol-2-amine?
The InChIKey is NFPWRHWDAIDXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4S2/c22-21-23-17-5-4-15(14-20(17)27-21)6-8-24-9-11-25(12-10-24)18-2-1-3-19-16(18)7-13-26-19/h1-5,7,13-14H,6,8-12H2,(H2,22,23).
What are the key properties of 6-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-1,3-benzothiazol-2-amine?
6-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-1,3-benzothiazol-2-amine has a molecular weight of 394.57 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 138374893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).