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

C14H17N3OS — CID 972659

IUPACN-(2-methyl-1,3-benzothiazol-6-yl)piperidine-1-carboxamide
SMILESCc1nc2ccc(NC(=O)N3CCCCC3)cc2s1
InChIInChI=1S/C14H17N3OS/c1-10-15-12-6-5-11(9-13(12)19-10)16-14(18)17-7-3-2-4-8-17/h5-6,9H,2-4,7-8H2,1H3,(H,16,18)
InChIKeyUEULPQSWNYNREC-UHFFFAOYSA-N
MW275.38 g/mol
LogP3.62
Rot. Bonds1

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

N-(2-methyl-1,3-benzothiazol-6-yl)piperidine-1-carboxamide (PubChem CID 972659) 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-1-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-benzothiazol-6-yl)piperidine-1-carboxamide
PubChem CID972659
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC NameN-(2-methyl-1,3-benzothiazol-6-yl)piperidine-1-carboxamide
SMILESCc1nc2ccc(NC(=O)N3CCCCC3)cc2s1
InChIInChI=1S/C14H17N3OS/c1-10-15-12-6-5-11(9-13(12)19-10)16-14(18)17-7-3-2-4-8-17/h5-6,9H,2-4,7-8H2,1H3,(H,16,18)
InChIKeyUEULPQSWNYNREC-UHFFFAOYSA-N
XLogP3.62
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-methyl-1,3-benzothiazol-6-yl)piperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methabenzthiazuron
CID 29216
Benzthiazuron
CID 16007
2-Piperazin-1-yl-1,3-benzothiazole
CID 592122
N-(2-Methyl-6-benzothiazolyl)acetamide
CID 596481
Bentaluron
CID 4408229
2-Methyl-1,3-benzothiazol-6-amine
CID 762831
N-(2-amino-1,3-benzothiazol-6-yl)acetamide
CID 231904
2-(6-Aminobenzothiazol-2-ylthio)-1-morpholin-4-ylethan-1-one
CID 728689
N-2-Benzothiazolyl-N'-butylurea
CID 99178
ST050344
CID 567790
1-(1,3-Benzothiazol-2-yl)-3-propylurea
CID 2130250
N,N,2-Trimethyl-1,3-benzothiazol-6-amine
CID 787095

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,3-benzothiazol-6-yl)piperidine-1-carboxamide?
The IUPAC name of N-(2-methyl-1,3-benzothiazol-6-yl)piperidine-1-carboxamide (CID 972659) is N-(2-methyl-1,3-benzothiazol-6-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(2-methyl-1,3-benzothiazol-6-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(2-methyl-1,3-benzothiazol-6-yl)piperidine-1-carboxamide is Cc1nc2ccc(NC(=O)N3CCCCC3)cc2s1.
What is the InChIKey of N-(2-methyl-1,3-benzothiazol-6-yl)piperidine-1-carboxamide?
The InChIKey is UEULPQSWNYNREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-10-15-12-6-5-11(9-13(12)19-10)16-14(18)17-7-3-2-4-8-17/h5-6,9H,2-4,7-8H2,1H3,(H,16,18).
What are the key properties of N-(2-methyl-1,3-benzothiazol-6-yl)piperidine-1-carboxamide?
N-(2-methyl-1,3-benzothiazol-6-yl)piperidine-1-carboxamide has a molecular weight of 275.38 g/mol, XLogP of 3.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,3-benzothiazol-6-yl)piperidine-1-carboxamide is sourced from PubChem (CID 972659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).