6-[6-(methoxymethyl)-3-pyridinyl]-1,3-benzothiazol-2-amine

C14H13N3OS — CID 122184467

IUPAC6-[6-(methoxymethyl)-3-pyridinyl]-1,3-benzothiazol-2-amine
SMILESCOCc1ccc(-c2ccc3nc(N)sc3c2)cn1
InChIInChI=1S/C14H13N3OS/c1-18-8-11-4-2-10(7-16-11)9-3-5-12-13(6-9)19-14(15)17-12/h2-7H,8H2,1H3,(H2,15,17)
InChIKeyPGBDHJBYFJSWIV-UHFFFAOYSA-N
MW271.35 g/mol
LogP3.09
Rot. Bonds3

About 6-[6-(methoxymethyl)-3-pyridinyl]-1,3-benzothiazol-2-amine

6-[6-(methoxymethyl)-3-pyridinyl]-1,3-benzothiazol-2-amine (PubChem CID 122184467) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is 6-[6-(methoxymethyl)-3-pyridinyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-[6-(methoxymethyl)-3-pyridinyl]-1,3-benzothiazol-2-amine
PubChem CID122184467
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC Name6-[6-(methoxymethyl)-3-pyridinyl]-1,3-benzothiazol-2-amine
SMILESCOCc1ccc(-c2ccc3nc(N)sc3c2)cn1
InChIInChI=1S/C14H13N3OS/c1-18-8-11-4-2-10(7-16-11)9-3-5-12-13(6-9)19-14(15)17-12/h2-7H,8H2,1H3,(H2,15,17)
InChIKeyPGBDHJBYFJSWIV-UHFFFAOYSA-N
XLogP3.09
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[6-(methoxymethyl)-3-pyridinyl]-1,3-benzothiazol-2-amine?
The IUPAC name of 6-[6-(methoxymethyl)-3-pyridinyl]-1,3-benzothiazol-2-amine (CID 122184467) is 6-[6-(methoxymethyl)-3-pyridinyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-[6-(methoxymethyl)-3-pyridinyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-[6-(methoxymethyl)-3-pyridinyl]-1,3-benzothiazol-2-amine is COCc1ccc(-c2ccc3nc(N)sc3c2)cn1.
What is the InChIKey of 6-[6-(methoxymethyl)-3-pyridinyl]-1,3-benzothiazol-2-amine?
The InChIKey is PGBDHJBYFJSWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-18-8-11-4-2-10(7-16-11)9-3-5-12-13(6-9)19-14(15)17-12/h2-7H,8H2,1H3,(H2,15,17).
What are the key properties of 6-[6-(methoxymethyl)-3-pyridinyl]-1,3-benzothiazol-2-amine?
6-[6-(methoxymethyl)-3-pyridinyl]-1,3-benzothiazol-2-amine has a molecular weight of 271.35 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(methoxymethyl)-3-pyridinyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 122184467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).