N-(2-tert-butyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide

C17H23N3OS — CID 119317985

IUPACN-(2-tert-butyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide
SMILESCC(C)(C)c1nc2ccc(NC(=O)C3CCNCC3)cc2s1
InChIInChI=1S/C17H23N3OS/c1-17(2,3)16-20-13-5-4-12(10-14(13)22-16)19-15(21)11-6-8-18-9-7-11/h4-5,10-11,18H,6-9H2,1-3H3,(H,19,21)
InChIKeyDPNPJMYIDIONSM-UHFFFAOYSA-N
MW317.46 g/mol
LogP3.53
Rot. Bonds2

About N-(2-tert-butyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide

N-(2-tert-butyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide (PubChem CID 119317985) has the molecular formula C17H23N3OS and a molecular weight of 317.46 g/mol. Its IUPAC name is N-(2-tert-butyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide
PubChem CID119317985
Molecular FormulaC17H23N3OS
Molecular Weight317.46 g/mol
Exact Mass317.16
IUPAC NameN-(2-tert-butyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide
SMILESCC(C)(C)c1nc2ccc(NC(=O)C3CCNCC3)cc2s1
InChIInChI=1S/C17H23N3OS/c1-17(2,3)16-20-13-5-4-12(10-14(13)22-16)19-15(21)11-6-8-18-9-7-11/h4-5,10-11,18H,6-9H2,1-3H3,(H,19,21)
InChIKeyDPNPJMYIDIONSM-UHFFFAOYSA-N
XLogP3.53
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide
CID 43702522
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide
CID 43702575
N-(2-tert-butyl-1,3-benzothiazol-6-yl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119774008
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)pyrrolidine-3-carboxamide
CID 55150236
4-[(2-methyl-1,3-benzothiazol-6-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120674363
2-amino-N-(2-tert-butyl-1,3-benzothiazol-6-yl)acetamide;hydrochloride
CID 119317982
(2S)-2-amino-N-(2-tert-butyl-1,3-benzothiazol-6-yl)propanamide
CID 119317979
1-(cyclopropanecarbonyl)-N-(2-methyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide
CID 26115537
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)cyclohexanecarboxamide
CID 672510
2-(4-aminophenyl)-N-(2-tert-butyl-1,3-benzothiazol-6-yl)acetamide
CID 119773991
4-(aminomethyl)-N-(2-methyl-1,3-benzothiazol-6-yl)cyclohexane-1-carboxamide
CID 79511681
N-(1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 24705272

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide?
The IUPAC name of N-(2-tert-butyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide (CID 119317985) is N-(2-tert-butyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2-tert-butyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(2-tert-butyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide is CC(C)(C)c1nc2ccc(NC(=O)C3CCNCC3)cc2s1.
What is the InChIKey of N-(2-tert-butyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide?
The InChIKey is DPNPJMYIDIONSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3OS/c1-17(2,3)16-20-13-5-4-12(10-14(13)22-16)19-15(21)11-6-8-18-9-7-11/h4-5,10-11,18H,6-9H2,1-3H3,(H,19,21).
What are the key properties of N-(2-tert-butyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide?
N-(2-tert-butyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide has a molecular weight of 317.46 g/mol, XLogP of 3.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide is sourced from PubChem (CID 119317985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).