1-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide

C15H19N3OS — CID 146078030

IUPAC1-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
SMILESCc1ccc2sc(N3CCC(C(N)=O)CC3)nc2c1C
InChIInChI=1S/C15H19N3OS/c1-9-3-4-12-13(10(9)2)17-15(20-12)18-7-5-11(6-8-18)14(16)19/h3-4,11H,5-8H2,1-2H3,(H2,16,19)
InChIKeyQOSHODAARKLYGR-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.61
Rot. Bonds2

About 1-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide

1-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide (PubChem CID 146078030) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 1-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
PubChem CID146078030
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name1-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
SMILESCc1ccc2sc(N3CCC(C(N)=O)CC3)nc2c1C
InChIInChI=1S/C15H19N3OS/c1-9-3-4-12-13(10(9)2)17-15(20-12)18-7-5-11(6-8-18)14(16)19/h3-4,11H,5-8H2,1-2H3,(H2,16,19)
InChIKeyQOSHODAARKLYGR-UHFFFAOYSA-N
XLogP2.61
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4,5-dimethyl-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 168696772
[1-(4,5-dimethyl-1,3-benzothiazol-2-yl)pyrrolidin-3-yl]-piperidin-1-ylmethanone
CID 166606166
1-(4,5-dimethyl-1,3-benzothiazol-2-yl)azetidine-3-carboxylic acid
CID 52903709
1-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-methylpropan-1-one
CID 7577711
1-adamantyl-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 43982791
N-(2,2-difluoroethyl)-2-[1-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]acetamide
CID 175650359
1-(6-amino-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 63231156
[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3,4-dimethylphenyl)methanone
CID 7577696
N-[1-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperidin-3-yl]acetamide
CID 171328526
2-[4-(4-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-4,5-dimethyl-1,3-benzothiazole
CID 16941475
1-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-methylsulfanylphenyl)ethanone
CID 41126506
4-chloro-1-(4,5-dimethyl-1,3-benzothiazol-2-yl)pyrrolidin-2-one
CID 168688065

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide (CID 146078030) is 1-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide is Cc1ccc2sc(N3CCC(C(N)=O)CC3)nc2c1C.
What is the InChIKey of 1-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide?
The InChIKey is QOSHODAARKLYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-9-3-4-12-13(10(9)2)17-15(20-12)18-7-5-11(6-8-18)14(16)19/h3-4,11H,5-8H2,1-2H3,(H2,16,19).
What are the key properties of 1-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide?
1-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 289.40 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 146078030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).