1-(1,3-benzothiazol-2-yl)-3-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-amine

C21H26N4OS — CID 174442423

IUPAC1-(1,3-benzothiazol-2-yl)-3-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-amine
SMILESCOc1cccc(N2CCN(CCC(N)c3nc4ccccc4s3)CC2)c1
InChIInChI=1S/C21H26N4OS/c1-26-17-6-4-5-16(15-17)25-13-11-24(12-14-25)10-9-18(22)21-23-19-7-2-3-8-20(19)27-21/h2-8,15,18H,9-14,22H2,1H3
InChIKeyKNRWUMSTAGNTSH-UHFFFAOYSA-N
MW382.53 g/mol
LogP3.52
Rot. Bonds6

About 1-(1,3-benzothiazol-2-yl)-3-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-amine

1-(1,3-benzothiazol-2-yl)-3-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-amine (PubChem CID 174442423) has the molecular formula C21H26N4OS and a molecular weight of 382.53 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-yl)-3-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-amine.

Molecular Properties

Compound Name1-(1,3-benzothiazol-2-yl)-3-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-amine
PubChem CID174442423
Molecular FormulaC21H26N4OS
Molecular Weight382.53 g/mol
Exact Mass382.18
IUPAC Name1-(1,3-benzothiazol-2-yl)-3-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-amine
SMILESCOc1cccc(N2CCN(CCC(N)c3nc4ccccc4s3)CC2)c1
InChIInChI=1S/C21H26N4OS/c1-26-17-6-4-5-16(15-17)25-13-11-24(12-14-25)10-9-18(22)21-23-19-7-2-3-8-20(19)27-21/h2-8,15,18H,9-14,22H2,1H3
InChIKeyKNRWUMSTAGNTSH-UHFFFAOYSA-N
XLogP3.52
TPSA54.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(1,3-benzothiazol-2-yl)-3-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(3-methoxyphenyl)piperazin-1-yl]-1-phenylethanamine
CID 174368771
6-[4-(3-methoxyphenyl)piperazin-1-yl]hexan-3-amine
CID 106799286
1-(1,3-benzothiazol-2-yl)-2-[4-(4-chlorophenyl)piperazin-1-yl]ethanamine
CID 70186942
1-(1,3-benzothiazol-2-yl)-2-(4-phenylpiperazin-1-yl)ethanamine;bis((E)-but-2-enedioic acid)
CID 70186461
(2S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-2-amine
CID 28599641
2-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone
CID 9371504
1-(2-chloroethyl)-4-(3-methoxyphenyl)piperazine;dihydrochloride
CID 11427409
2-[[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methyl]-1,3-benzothiazole
CID 112769521
1-[1,3-benzothiazol-2-yl-(3-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 5196309
2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethoxy]ethanamine
CID 79479255
N-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethyl]propan-2-amine
CID 60841668
4-[4-(3-methoxyphenyl)piperazin-1-yl]-3,3-dimethylbutan-2-amine
CID 66453614

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-2-yl)-3-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-amine?
The IUPAC name of 1-(1,3-benzothiazol-2-yl)-3-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-amine (CID 174442423) is 1-(1,3-benzothiazol-2-yl)-3-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-amine.
What is the SMILES notation for 1-(1,3-benzothiazol-2-yl)-3-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-amine?
The canonical SMILES for 1-(1,3-benzothiazol-2-yl)-3-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-amine is COc1cccc(N2CCN(CCC(N)c3nc4ccccc4s3)CC2)c1.
What is the InChIKey of 1-(1,3-benzothiazol-2-yl)-3-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-amine?
The InChIKey is KNRWUMSTAGNTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4OS/c1-26-17-6-4-5-16(15-17)25-13-11-24(12-14-25)10-9-18(22)21-23-19-7-2-3-8-20(19)27-21/h2-8,15,18H,9-14,22H2,1H3.
What are the key properties of 1-(1,3-benzothiazol-2-yl)-3-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-amine?
1-(1,3-benzothiazol-2-yl)-3-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-amine has a molecular weight of 382.53 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-2-yl)-3-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-amine is sourced from PubChem (CID 174442423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).