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'}

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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).