2-[4-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-N-propan-2-ylpropanamide

C18H26N4OS2 — CID 155975498

IUPAC2-[4-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-N-propan-2-ylpropanamide
SMILESCSc1cccc2sc(N3CCN(C(C)C(=O)NC(C)C)CC3)nc12
InChIInChI=1S/C18H26N4OS2/c1-12(2)19-17(23)13(3)21-8-10-22(11-9-21)18-20-16-14(24-4)6-5-7-15(16)25-18/h5-7,12-13H,8-11H2,1-4H3,(H,19,23)
InChIKeyRPJYXCDNEKOCTO-UHFFFAOYSA-N
MW378.57 g/mol
LogP3.05
Rot. Bonds5

About 2-[4-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-N-propan-2-ylpropanamide

2-[4-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-N-propan-2-ylpropanamide (PubChem CID 155975498) has the molecular formula C18H26N4OS2 and a molecular weight of 378.57 g/mol. Its IUPAC name is 2-[4-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-[4-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-N-propan-2-ylpropanamide
PubChem CID155975498
Molecular FormulaC18H26N4OS2
Molecular Weight378.57 g/mol
Exact Mass378.15
IUPAC Name2-[4-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-N-propan-2-ylpropanamide
SMILESCSc1cccc2sc(N3CCN(C(C)C(=O)NC(C)C)CC3)nc12
InChIInChI=1S/C18H26N4OS2/c1-12(2)19-17(23)13(3)21-8-10-22(11-9-21)18-20-16-14(24-4)6-5-7-15(16)25-18/h5-7,12-13H,8-11H2,1-4H3,(H,19,23)
InChIKeyRPJYXCDNEKOCTO-UHFFFAOYSA-N
XLogP3.05
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.57
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-N-propan-2-ylpropanamide 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-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-N-propan-2-ylpropanamide
CID 155975220
(5-chlorothiophen-2-yl)-[4-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 8702580
4,7-dimethyl-2-[4-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-1,3-benzothiazole
CID 16941501
1,3-benzothiazol-2-yl-[4-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 25319372
2-[4-(4-chlorophenyl)piperazin-1-yl]-4-methylsulfanyl-1,3-benzothiazole
CID 121081796
1-[4-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone
CID 41363046
[4-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 8702584
4-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 121081301
[4-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3-propan-2-ylsulfonylphenyl)methanone
CID 25319629
2-(4-methoxyphenyl)sulfanyl-1-[4-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone
CID 25319613
[4-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 25319377
(4-ethylsulfonylphenyl)-[4-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 25319559

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-N-propan-2-ylpropanamide?
The IUPAC name of 2-[4-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-N-propan-2-ylpropanamide (CID 155975498) is 2-[4-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-[4-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-N-propan-2-ylpropanamide?
The canonical SMILES for 2-[4-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-N-propan-2-ylpropanamide is CSc1cccc2sc(N3CCN(C(C)C(=O)NC(C)C)CC3)nc12.
What is the InChIKey of 2-[4-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-N-propan-2-ylpropanamide?
The InChIKey is RPJYXCDNEKOCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4OS2/c1-12(2)19-17(23)13(3)21-8-10-22(11-9-21)18-20-16-14(24-4)6-5-7-15(16)25-18/h5-7,12-13H,8-11H2,1-4H3,(H,19,23).
What are the key properties of 2-[4-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-N-propan-2-ylpropanamide?
2-[4-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-N-propan-2-ylpropanamide has a molecular weight of 378.57 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-N-propan-2-ylpropanamide is sourced from PubChem (CID 155975498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).