N-(1,3-benzothiazol-2-yl)-2-methyl-2-piperazin-1-ylpropanamide

C15H20N4OS — CID 80547309

IUPACN-(1,3-benzothiazol-2-yl)-2-methyl-2-piperazin-1-ylpropanamide
SMILESCC(C)(C(=O)Nc1nc2ccccc2s1)N1CCNCC1
InChIInChI=1S/C15H20N4OS/c1-15(2,19-9-7-16-8-10-19)13(20)18-14-17-11-5-3-4-6-12(11)21-14/h3-6,16H,7-10H2,1-2H3,(H,17,18,20)
InChIKeyPCTBOSHHBIKRIL-UHFFFAOYSA-N
MW304.42 g/mol
LogP1.92
Rot. Bonds3

About N-(1,3-benzothiazol-2-yl)-2-methyl-2-piperazin-1-ylpropanamide

N-(1,3-benzothiazol-2-yl)-2-methyl-2-piperazin-1-ylpropanamide (PubChem CID 80547309) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-methyl-2-piperazin-1-ylpropanamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-methyl-2-piperazin-1-ylpropanamide
PubChem CID80547309
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-methyl-2-piperazin-1-ylpropanamide
SMILESCC(C)(C(=O)Nc1nc2ccccc2s1)N1CCNCC1
InChIInChI=1S/C15H20N4OS/c1-15(2,19-9-7-16-8-10-19)13(20)18-14-17-11-5-3-4-6-12(11)21-14/h3-6,16H,7-10H2,1-2H3,(H,17,18,20)
InChIKeyPCTBOSHHBIKRIL-UHFFFAOYSA-N
XLogP1.92
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzothiazol-2-yl)-2-oxo-2-piperazin-1-ylacetamide
CID 43327538
N-(1,3-benzothiazol-2-yl)-2-hydroxy-2-methylpropanamide
CID 103429378
2-amino-N-(1,3-benzothiazol-2-yl)-2-methylpentanamide
CID 60846825
3-(1,3-benzothiazol-2-ylamino)-2,2-dimethyl-3-oxopropanoic acid
CID 82813676
N-(1,3-benzothiazol-2-yl)-2-(4-methylpiperazin-1-yl)acetamide;1-methylpiperazine
CID 160746986
N-(1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 24705272
N,N'-bis(1,3-benzothiazol-2-yl)oxamide
CID 591706
N-(1,3-benzothiazol-2-yl)-3,3-dimethylbutanamide
CID 710830
N-(1,3-benzothiazol-2-yl)-3,3-bis(4-hydroxyphenyl)-2,2-dimethylpropanamide
CID 59232931
N-(1,3-benzothiazol-2-yl)-2-(3-chlorophenyl)-2-methylpropanamide
CID 110439547
N-(1,3-benzothiazol-2-yl)-2-(tert-butylamino)acetamide
CID 47840976
N-(1,3-benzothiazol-2-yl)-1-methylpyrrole-2-carboxamide
CID 110467037

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-methyl-2-piperazin-1-ylpropanamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-methyl-2-piperazin-1-ylpropanamide (CID 80547309) is N-(1,3-benzothiazol-2-yl)-2-methyl-2-piperazin-1-ylpropanamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-methyl-2-piperazin-1-ylpropanamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-methyl-2-piperazin-1-ylpropanamide is CC(C)(C(=O)Nc1nc2ccccc2s1)N1CCNCC1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-methyl-2-piperazin-1-ylpropanamide?
The InChIKey is PCTBOSHHBIKRIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-15(2,19-9-7-16-8-10-19)13(20)18-14-17-11-5-3-4-6-12(11)21-14/h3-6,16H,7-10H2,1-2H3,(H,17,18,20).
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-methyl-2-piperazin-1-ylpropanamide?
N-(1,3-benzothiazol-2-yl)-2-methyl-2-piperazin-1-ylpropanamide has a molecular weight of 304.42 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-methyl-2-piperazin-1-ylpropanamide is sourced from PubChem (CID 80547309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).