6-methoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine

C16H12N4OS2 — CID 7086347

IUPAC6-methoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine
SMILESCOc1ccc2nc(Nc3nc(-c4ccncc4)cs3)sc2c1
InChIInChI=1S/C16H12N4OS2/c1-21-11-2-3-12-14(8-11)23-16(18-12)20-15-19-13(9-22-15)10-4-6-17-7-5-10/h2-9H,1H3,(H,18,19,20)
InChIKeyHNIYHGXKRCSFEA-UHFFFAOYSA-N
MW340.43 g/mol
LogP4.57
Rot. Bonds4

About 6-methoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine

6-methoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine (PubChem CID 7086347) has the molecular formula C16H12N4OS2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 6-methoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-methoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine
PubChem CID7086347
Molecular FormulaC16H12N4OS2
Molecular Weight340.43 g/mol
Exact Mass340.05
IUPAC Name6-methoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine
SMILESCOc1ccc2nc(Nc3nc(-c4ccncc4)cs3)sc2c1
InChIInChI=1S/C16H12N4OS2/c1-21-11-2-3-12-14(8-11)23-16(18-12)20-15-19-13(9-22-15)10-4-6-17-7-5-10/h2-9H,1H3,(H,18,19,20)
InChIKeyHNIYHGXKRCSFEA-UHFFFAOYSA-N
XLogP4.57
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-methoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine (CID 7086347) is 6-methoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-methoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-methoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine is COc1ccc2nc(Nc3nc(-c4ccncc4)cs3)sc2c1.
What is the InChIKey of 6-methoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine?
The InChIKey is HNIYHGXKRCSFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4OS2/c1-21-11-2-3-12-14(8-11)23-16(18-12)20-15-19-13(9-22-15)10-4-6-17-7-5-10/h2-9H,1H3,(H,18,19,20).
What are the key properties of 6-methoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine?
6-methoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine has a molecular weight of 340.43 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 7086347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).