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

C14H17N3OS — CID 43702522

IUPACN-(2-methyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide
SMILESCc1nc2ccc(NC(=O)C3CCNCC3)cc2s1
InChIInChI=1S/C14H17N3OS/c1-9-16-12-3-2-11(8-13(12)19-9)17-14(18)10-4-6-15-7-5-10/h2-3,8,10,15H,4-7H2,1H3,(H,17,18)
InChIKeyXUGTWXIWEQIUBR-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.54
Rot. Bonds2

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

N-(2-methyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide (PubChem CID 43702522) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is N-(2-methyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide
PubChem CID43702522
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC NameN-(2-methyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide
SMILESCc1nc2ccc(NC(=O)C3CCNCC3)cc2s1
InChIInChI=1S/C14H17N3OS/c1-9-16-12-3-2-11(8-13(12)19-9)17-14(18)10-4-6-15-7-5-10/h2-3,8,10,15H,4-7H2,1H3,(H,17,18)
InChIKeyXUGTWXIWEQIUBR-UHFFFAOYSA-N
XLogP2.54
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-methyl-1,3-benzothiazol-6-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120674363
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide
CID 43702575
N-(2-tert-butyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide
CID 119317985
1-(cyclopropanecarbonyl)-N-(2-methyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide
CID 26115537
4-(aminomethyl)-N-(2-methyl-1,3-benzothiazol-6-yl)cyclohexane-1-carboxamide
CID 79511681
3-amino-N-(2-methyl-1,3-benzothiazol-6-yl)cyclopentane-1-carboxamide
CID 66009345
trans-(1S,2S)-2-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide
CID 7742031
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)pyrrolidine-3-carboxamide
CID 55150236
2-amino-N-(2-methyl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide
CID 114996370
2,2-difluoro-N-(2-methyl-1,3-benzothiazol-6-yl)-5-azaspiro[2.3]hexane-6-carboxamide
CID 167830807
N-(2-methyl-1,3-benzothiazol-6-yl)-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 4782960
N-(2-methyl-1,3-benzothiazol-6-yl)-1,3-thiazolidine-4-carboxamide
CID 43702559

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide?
The IUPAC name of N-(2-methyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide (CID 43702522) is N-(2-methyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2-methyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(2-methyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide is Cc1nc2ccc(NC(=O)C3CCNCC3)cc2s1.
What is the InChIKey of N-(2-methyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide?
The InChIKey is XUGTWXIWEQIUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-9-16-12-3-2-11(8-13(12)19-9)17-14(18)10-4-6-15-7-5-10/h2-3,8,10,15H,4-7H2,1H3,(H,17,18).
What are the key properties of N-(2-methyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide?
N-(2-methyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide has a molecular weight of 275.38 g/mol, XLogP of 2.54, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide is sourced from PubChem (CID 43702522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).