3-[4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]-1,2-benzothiazole

C16H19N5S — CID 74233728

IUPAC3-[4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]-1,2-benzothiazole
SMILESCc1[nH]cnc1CN1CCN(c2nsc3ccccc23)CC1
InChIInChI=1S/C16H19N5S/c1-12-14(18-11-17-12)10-20-6-8-21(9-7-20)16-13-4-2-3-5-15(13)22-19-16/h2-5,11H,6-10H2,1H3,(H,17,18)
InChIKeyFFPLAQGFKKXAJX-UHFFFAOYSA-N
MW313.43 g/mol
LogP2.65
Rot. Bonds3

About 3-[4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]-1,2-benzothiazole

3-[4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]-1,2-benzothiazole (PubChem CID 74233728) has the molecular formula C16H19N5S and a molecular weight of 313.43 g/mol. Its IUPAC name is 3-[4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]-1,2-benzothiazole.

Molecular Properties

Compound Name3-[4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]-1,2-benzothiazole
PubChem CID74233728
Molecular FormulaC16H19N5S
Molecular Weight313.43 g/mol
Exact Mass313.14
IUPAC Name3-[4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]-1,2-benzothiazole
SMILESCc1[nH]cnc1CN1CCN(c2nsc3ccccc23)CC1
InChIInChI=1S/C16H19N5S/c1-12-14(18-11-17-12)10-20-6-8-21(9-7-20)16-13-4-2-3-5-15(13)22-19-16/h2-5,11H,6-10H2,1H3,(H,17,18)
InChIKeyFFPLAQGFKKXAJX-UHFFFAOYSA-N
XLogP2.65
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]-1,2-benzothiazole 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

1-[(5-methyl-1H-imidazol-4-yl)methyl]-4-pyridin-2-ylpiperazine
CID 30982079
3-[4-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-1,2-benzothiazole
CID 155823239
2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethanamine
CID 66801585
1,4-bis[(5-methyl-1H-imidazol-4-yl)methyl]-1,4-diazepane
CID 101485956
3-pyrrolidin-1-yl-1,2-benzothiazole
CID 11074496
3-(4-tert-butylpiperazin-1-yl)-1,2-benzothiazole
CID 59648088
2-[[4-[[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]methyl]phenyl]methyl]isoindole-1,3-dione
CID 139959542
3-[[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]methyl]benzonitrile
CID 166600533
1-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-3-(4-methylpiperazin-1-yl)propan-1-one
CID 46968893
6-[[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]methyl]spiro[3.3]heptan-2-amine;hydrochloride
CID 154663086
1-(1,2-benzothiazol-3-yl)piperidin-4-ol
CID 66570294
6-[[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]methyl]-3-methyl-1,3-benzoxazol-2-one
CID 67576238

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]-1,2-benzothiazole?
The IUPAC name of 3-[4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]-1,2-benzothiazole (CID 74233728) is 3-[4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]-1,2-benzothiazole.
What is the SMILES notation for 3-[4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]-1,2-benzothiazole?
The canonical SMILES for 3-[4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]-1,2-benzothiazole is Cc1[nH]cnc1CN1CCN(c2nsc3ccccc23)CC1.
What is the InChIKey of 3-[4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]-1,2-benzothiazole?
The InChIKey is FFPLAQGFKKXAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5S/c1-12-14(18-11-17-12)10-20-6-8-21(9-7-20)16-13-4-2-3-5-15(13)22-19-16/h2-5,11H,6-10H2,1H3,(H,17,18).
What are the key properties of 3-[4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]-1,2-benzothiazole?
3-[4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]-1,2-benzothiazole has a molecular weight of 313.43 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]-1,2-benzothiazole is sourced from PubChem (CID 74233728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).