5-(4-methoxypiperidin-1-yl)-2-methyl-1,3-benzothiazol-6-amine

C14H19N3OS — CID 43450625

IUPAC5-(4-methoxypiperidin-1-yl)-2-methyl-1,3-benzothiazol-6-amine
SMILESCOC1CCN(c2cc3nc(C)sc3cc2N)CC1
InChIInChI=1S/C14H19N3OS/c1-9-16-12-8-13(11(15)7-14(12)19-9)17-5-3-10(18-2)4-6-17/h7-8,10H,3-6,15H2,1-2H3
InChIKeySZOHPNQPTPHQHN-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.80
Rot. Bonds2

About 5-(4-methoxypiperidin-1-yl)-2-methyl-1,3-benzothiazol-6-amine

5-(4-methoxypiperidin-1-yl)-2-methyl-1,3-benzothiazol-6-amine (PubChem CID 43450625) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 5-(4-methoxypiperidin-1-yl)-2-methyl-1,3-benzothiazol-6-amine.

Molecular Properties

Compound Name5-(4-methoxypiperidin-1-yl)-2-methyl-1,3-benzothiazol-6-amine
PubChem CID43450625
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name5-(4-methoxypiperidin-1-yl)-2-methyl-1,3-benzothiazol-6-amine
SMILESCOC1CCN(c2cc3nc(C)sc3cc2N)CC1
InChIInChI=1S/C14H19N3OS/c1-9-16-12-8-13(11(15)7-14(12)19-9)17-5-3-10(18-2)4-6-17/h7-8,10H,3-6,15H2,1-2H3
InChIKeySZOHPNQPTPHQHN-UHFFFAOYSA-N
XLogP2.80
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-(4-methoxypiperidin-1-yl)-2-methyl-1,3-benzothiazol-6-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

Cgi 16343
CID 128490
2-(2-Morpholinoethoxy)benzo[d]thiazol-5-amine
CID 71779869
2-Methyl-1,3-benzothiazole-4,6-diamine
CID 71732425
5-N-[(3-fluorophenyl)methyl]-5-N,2-dimethyl-1,3-benzothiazole-5,6-diamine
CID 43450428
2-methyl-5-N-(2,2,2-trifluoroethyl)-1,3-benzothiazole-5,6-diamine
CID 43450467
2-methyl-5-N-(2,3,4-trifluorophenyl)-1,3-benzothiazole-5,6-diamine
CID 43450531
5-N-(3-fluorophenyl)-2-methyl-1,3-benzothiazole-5,6-diamine
CID 43450563
5-N-(4-fluorophenyl)-2-methyl-1,3-benzothiazole-5,6-diamine
CID 43450570
5-N-(2-fluorophenyl)-2-methyl-1,3-benzothiazole-5,6-diamine
CID 43450572
5-N-(3,5-difluorophenyl)-2-methyl-1,3-benzothiazole-5,6-diamine
CID 43450581
5-N-ethyl-2-methyl-5-N-(2,2,2-trifluoroethyl)-1,3-benzothiazole-5,6-diamine
CID 55007041
5-N,2-dimethyl-5-N-(2,2,2-trifluoroethyl)-1,3-benzothiazole-5,6-diamine
CID 60891365

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxypiperidin-1-yl)-2-methyl-1,3-benzothiazol-6-amine?
The IUPAC name of 5-(4-methoxypiperidin-1-yl)-2-methyl-1,3-benzothiazol-6-amine (CID 43450625) is 5-(4-methoxypiperidin-1-yl)-2-methyl-1,3-benzothiazol-6-amine.
What is the SMILES notation for 5-(4-methoxypiperidin-1-yl)-2-methyl-1,3-benzothiazol-6-amine?
The canonical SMILES for 5-(4-methoxypiperidin-1-yl)-2-methyl-1,3-benzothiazol-6-amine is COC1CCN(c2cc3nc(C)sc3cc2N)CC1.
What is the InChIKey of 5-(4-methoxypiperidin-1-yl)-2-methyl-1,3-benzothiazol-6-amine?
The InChIKey is SZOHPNQPTPHQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-9-16-12-8-13(11(15)7-14(12)19-9)17-5-3-10(18-2)4-6-17/h7-8,10H,3-6,15H2,1-2H3.
What are the key properties of 5-(4-methoxypiperidin-1-yl)-2-methyl-1,3-benzothiazol-6-amine?
5-(4-methoxypiperidin-1-yl)-2-methyl-1,3-benzothiazol-6-amine has a molecular weight of 277.39 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxypiperidin-1-yl)-2-methyl-1,3-benzothiazol-6-amine is sourced from PubChem (CID 43450625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).