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

C15H19N3OS — CID 172900683

IUPAC1-(4-ethyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
SMILESCCc1cccc2sc(N3CCCC(C(N)=O)C3)nc12
InChIInChI=1S/C15H19N3OS/c1-2-10-5-3-7-12-13(10)17-15(20-12)18-8-4-6-11(9-18)14(16)19/h3,5,7,11H,2,4,6,8-9H2,1H3,(H2,16,19)
InChIKeyMGLNUBXPVHDGGS-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.56
Rot. Bonds3

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

1-(4-ethyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide (PubChem CID 172900683) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 1-(4-ethyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-ethyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
PubChem CID172900683
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name1-(4-ethyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
SMILESCCc1cccc2sc(N3CCCC(C(N)=O)C3)nc12
InChIInChI=1S/C15H19N3OS/c1-2-10-5-3-7-12-13(10)17-15(20-12)18-8-4-6-11(9-18)14(16)19/h3,5,7,11H,2,4,6,8-9H2,1H3,(H2,16,19)
InChIKeyMGLNUBXPVHDGGS-UHFFFAOYSA-N
XLogP2.56
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(4-ethyl-1,3-benzothiazol-2-yl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
CID 166603541
1-(2,6-diethylphenyl)piperidine-3-carboxamide
CID 117008267
1-(4-ethyl-1,3-benzothiazol-2-yl)piperidine-2-carboxylic acid
CID 56724806
4-ethyl-2-[3-(fluoromethyl)pyrrolidin-1-yl]-1,3-benzothiazole
CID 163348320
N-(2,6-dimethylphenyl)-1-(4-fluoro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 90610490
(3R)-1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 97009426
N-tert-butyl-1-(4-methylsulfonyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 165435183
methyl 1-(1,3-benzothiazol-2-yl)piperidine-3-carboxylate
CID 113223222
1-[1-(4-fluoro-1,3-benzothiazol-2-yl)azetidine-3-carbonyl]piperidine-4-carboxamide
CID 90604387
2-[1-(4-ethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-1-morpholin-4-ylethanone
CID 172902679
2-[4-(4-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-4,5-dimethyl-1,3-benzothiazole
CID 16941475
N-[(2,4-difluorophenyl)methyl]-1-(4-fluoro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 90610569

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of 1-(4-ethyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide (CID 172900683) is 1-(4-ethyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-ethyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-(4-ethyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide is CCc1cccc2sc(N3CCCC(C(N)=O)C3)nc12.
What is the InChIKey of 1-(4-ethyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide?
The InChIKey is MGLNUBXPVHDGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-2-10-5-3-7-12-13(10)17-15(20-12)18-8-4-6-11(9-18)14(16)19/h3,5,7,11H,2,4,6,8-9H2,1H3,(H2,16,19).
What are the key properties of 1-(4-ethyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide?
1-(4-ethyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 289.40 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 172900683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).