N-ethyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine

C24H36N4OS — CID 66937227

IUPACN-ethyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine
SMILESCCN(CCCCN1CCN(c2ccccc2OC)CC1)C1CCc2ncsc2C1
InChIInChI=1S/C24H36N4OS/c1-3-27(20-10-11-21-24(18-20)30-19-25-21)13-7-6-12-26-14-16-28(17-15-26)22-8-4-5-9-23(22)29-2/h4-5,8-9,19-20H,3,6-7,10-18H2,1-2H3
InChIKeyYRMRGSGNAFXQTP-UHFFFAOYSA-N
MW428.65 g/mol
LogP3.93
Rot. Bonds9

About N-ethyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine

N-ethyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine (PubChem CID 66937227) has the molecular formula C24H36N4OS and a molecular weight of 428.65 g/mol. Its IUPAC name is N-ethyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine.

Molecular Properties

Compound NameN-ethyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine
PubChem CID66937227
Molecular FormulaC24H36N4OS
Molecular Weight428.65 g/mol
Exact Mass428.26
IUPAC NameN-ethyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine
SMILESCCN(CCCCN1CCN(c2ccccc2OC)CC1)C1CCc2ncsc2C1
InChIInChI=1S/C24H36N4OS/c1-3-27(20-10-11-21-24(18-20)30-19-25-21)13-7-6-12-26-14-16-28(17-15-26)22-8-4-5-9-23(22)29-2/h4-5,8-9,19-20H,3,6-7,10-18H2,1-2H3
InChIKeyYRMRGSGNAFXQTP-UHFFFAOYSA-N
XLogP3.93
TPSA31.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.65
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(6S)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine
CID 97290365
6-[6-[4-(2-methoxyphenyl)piperazin-1-yl]hexyl-propylamino]-5,6,7,8-tetrahydronaphthalene-1,2-diol
CID 22906072
1-(2-methoxyphenyl)-4-[4-(2-methylimidazol-1-yl)butyl]piperazine
CID 172860872
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-N-methylcyclohexanecarboxamide
CID 139835093
1-[3-(4-benzylpiperidin-1-yl)propyl]-4-(2-methoxyphenyl)piperazine
CID 127033889
3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine
CID 10467259
1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]piperidine-2,6-diol;hydrochloride
CID 141019598
2-[2-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]ethyl]-1,3,4-thiadiazole
CID 58269751
2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl-methylamino]-N,N-dimethylpyridine-3-carboxamide;hydrochloride
CID 21473475
1-(2-methoxyphenyl)-4-pent-4-ynylpiperazine
CID 112548439
N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1,3-thiazol-2-amine
CID 89427881
4-[4-(2-methoxyphenyl)piperazin-1-yl]butanenitrile
CID 586071

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine?
The IUPAC name of N-ethyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine (CID 66937227) is N-ethyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine.
What is the SMILES notation for N-ethyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine?
The canonical SMILES for N-ethyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine is CCN(CCCCN1CCN(c2ccccc2OC)CC1)C1CCc2ncsc2C1.
What is the InChIKey of N-ethyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine?
The InChIKey is YRMRGSGNAFXQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4OS/c1-3-27(20-10-11-21-24(18-20)30-19-25-21)13-7-6-12-26-14-16-28(17-15-26)22-8-4-5-9-23(22)29-2/h4-5,8-9,19-20H,3,6-7,10-18H2,1-2H3.
What are the key properties of N-ethyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine?
N-ethyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine has a molecular weight of 428.65 g/mol, XLogP of 3.93, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine is sourced from PubChem (CID 66937227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).