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

C16H12N4OS2 — CID 7086337

IUPAC4-methoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine
SMILESCOc1cccc2sc(Nc3nc(-c4ccncc4)cs3)nc12
InChIInChI=1S/C16H12N4OS2/c1-21-12-3-2-4-13-14(12)19-16(23-13)20-15-18-11(9-22-15)10-5-7-17-8-6-10/h2-9H,1H3,(H,18,19,20)
InChIKeyRBQRHNVNUNTQNU-UHFFFAOYSA-N
MW340.43 g/mol
LogP4.57
Rot. Bonds4

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

4-methoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine (PubChem CID 7086337) has the molecular formula C16H12N4OS2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 4-methoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name4-methoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine
PubChem CID7086337
Molecular FormulaC16H12N4OS2
Molecular Weight340.43 g/mol
Exact Mass340.05
IUPAC Name4-methoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine
SMILESCOc1cccc2sc(Nc3nc(-c4ccncc4)cs3)nc12
InChIInChI=1S/C16H12N4OS2/c1-21-12-3-2-4-13-14(12)19-16(23-13)20-15-18-11(9-22-15)10-5-7-17-8-6-10/h2-9H,1H3,(H,18,19,20)
InChIKeyRBQRHNVNUNTQNU-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 4-methoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine?
The IUPAC name of 4-methoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine (CID 7086337) is 4-methoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 4-methoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 4-methoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine is COc1cccc2sc(Nc3nc(-c4ccncc4)cs3)nc12.
What is the InChIKey of 4-methoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine?
The InChIKey is RBQRHNVNUNTQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4OS2/c1-21-12-3-2-4-13-14(12)19-16(23-13)20-15-18-11(9-22-15)10-5-7-17-8-6-10/h2-9H,1H3,(H,18,19,20).
What are the key properties of 4-methoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine?
4-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 4-methoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 7086337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).