4-methoxy-N-piperidin-4-yl-1,3-benzothiazol-2-amine

C13H17N3OS — CID 82192101

IUPAC4-methoxy-N-piperidin-4-yl-1,3-benzothiazol-2-amine
SMILESCOc1cccc2sc(NC3CCNCC3)nc12
InChIInChI=1S/C13H17N3OS/c1-17-10-3-2-4-11-12(10)16-13(18-11)15-9-5-7-14-8-6-9/h2-4,9,14H,5-8H2,1H3,(H,15,16)
InChIKeyBXOSBHVTEUJMCN-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.47
Rot. Bonds3

About 4-methoxy-N-piperidin-4-yl-1,3-benzothiazol-2-amine

4-methoxy-N-piperidin-4-yl-1,3-benzothiazol-2-amine (PubChem CID 82192101) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 4-methoxy-N-piperidin-4-yl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name4-methoxy-N-piperidin-4-yl-1,3-benzothiazol-2-amine
PubChem CID82192101
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name4-methoxy-N-piperidin-4-yl-1,3-benzothiazol-2-amine
SMILESCOc1cccc2sc(NC3CCNCC3)nc12
InChIInChI=1S/C13H17N3OS/c1-17-10-3-2-4-11-12(10)16-13(18-11)15-9-5-7-14-8-6-9/h2-4,9,14H,5-8H2,1H3,(H,15,16)
InChIKeyBXOSBHVTEUJMCN-UHFFFAOYSA-N
XLogP2.47
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-methoxy-N-piperidin-4-yl-1,3-benzothiazol-2-amine 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

N-(4-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide;hydrochloride
CID 119271366
5-chloro-4-methyl-N-piperidin-4-yl-1,3-benzothiazol-2-amine
CID 82192094
4-chloro-N-pyrrolidin-3-yl-1,3-benzothiazol-2-amine
CID 82192008
N-(4-methoxy-1,3-benzothiazol-2-yl)cyclopentanecarboxamide
CID 43952131
2-cyclopropyl-4-methoxy-1,3-benzothiazole
CID 18356996
(4-methoxy-1,3-benzothiazol-2-yl)urea
CID 22283036
N-(2-methoxyphenyl)piperidin-4-amine;hydrochloride
CID 90237422
4,7-dichloro-N-piperidin-4-yl-1,3-benzothiazol-2-amine
CID 82192099
N-cyclopentyl-4-methoxy-7-methyl-1,3-benzothiazol-2-amine
CID 82549533
2-(2-methylpropyl)-4-piperidin-4-yloxy-1,3-benzothiazole
CID 82190283
(2,6-dimethoxyphenyl)-[3-[(4-fluoro-1,3-benzothiazol-2-yl)amino]pyrrolidin-1-yl]methanone
CID 74834716
N-cyclohexyl-4-propan-2-yl-1,3-benzothiazol-2-amine
CID 82549483

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-piperidin-4-yl-1,3-benzothiazol-2-amine?
The IUPAC name of 4-methoxy-N-piperidin-4-yl-1,3-benzothiazol-2-amine (CID 82192101) is 4-methoxy-N-piperidin-4-yl-1,3-benzothiazol-2-amine.
What is the SMILES notation for 4-methoxy-N-piperidin-4-yl-1,3-benzothiazol-2-amine?
The canonical SMILES for 4-methoxy-N-piperidin-4-yl-1,3-benzothiazol-2-amine is COc1cccc2sc(NC3CCNCC3)nc12.
What is the InChIKey of 4-methoxy-N-piperidin-4-yl-1,3-benzothiazol-2-amine?
The InChIKey is BXOSBHVTEUJMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-17-10-3-2-4-11-12(10)16-13(18-11)15-9-5-7-14-8-6-9/h2-4,9,14H,5-8H2,1H3,(H,15,16).
What are the key properties of 4-methoxy-N-piperidin-4-yl-1,3-benzothiazol-2-amine?
4-methoxy-N-piperidin-4-yl-1,3-benzothiazol-2-amine has a molecular weight of 263.37 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-piperidin-4-yl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 82192101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).