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

C16H12N4OS2 — CID 3240629

IUPAC4-methoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine
SMILESCOc1cccc2sc(Nc3nc(-c4ccccn4)cs3)nc12
InChIInChI=1S/C16H12N4OS2/c1-21-12-6-4-7-13-14(12)19-16(23-13)20-15-18-11(9-22-15)10-5-2-3-8-17-10/h2-9H,1H3,(H,18,19,20)
InChIKeyWSJSWLQVPVZOKR-UHFFFAOYSA-N
MW340.43 g/mol
LogP4.57
Rot. Bonds4

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

4-methoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine (PubChem CID 3240629) has the molecular formula C16H12N4OS2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 4-methoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name4-methoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine
PubChem CID3240629
Molecular FormulaC16H12N4OS2
Molecular Weight340.43 g/mol
Exact Mass340.05
IUPAC Name4-methoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine
SMILESCOc1cccc2sc(Nc3nc(-c4ccccn4)cs3)nc12
InChIInChI=1S/C16H12N4OS2/c1-21-12-6-4-7-13-14(12)19-16(23-13)20-15-18-11(9-22-15)10-5-2-3-8-17-10/h2-9H,1H3,(H,18,19,20)
InChIKeyWSJSWLQVPVZOKR-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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Related Compounds

6-Methoxy-N-(3-pyridinylmethyl)-2-benzothiazolamine
CID 834526
6-methoxy-N-(4-(pyridin-4-yl)thiazol-2-yl)benzo[d]thiazol-2-amine
CID 7086347
CID 2877735
CID 2877735
4-methoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine
CID 7086337
2-(2-((Pyridin-3-yloxy)methyl)piperazin-1-yl)benzo[d]thiazole
CID 59671531
6-Methoxy-2-(2-((pyridin-3-yloxy)methyl)piperazin-1-yl)benzo[d]thiazole hydrochloride
CID 66797146
6-methoxy-2-[(2R)-2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzothiazole;hydrochloride
CID 66797847
5-Methoxy-N-[4-(2-pyridinyl)-2-thiazolyl]-2-pyridinamine
CID 122192401
Cambridge id 5769615
CID 704384
2-[4-(1,3-Benzothiazol-2-yl)piperazin-1-yl]-4-methoxy-1,3-benzothiazole
CID 3240147
6-methoxy-N-(4-(pyridin-2-yl)thiazol-2-yl)benzo[d]thiazol-2-amine
CID 7086346
N-[2-[(4-methoxy-1,3-benzothiazol-2-yl)amino]-1,3-benzothiazol-6-yl]acetamide
CID 7105772

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine?
The IUPAC name of 4-methoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine (CID 3240629) is 4-methoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 4-methoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 4-methoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine is COc1cccc2sc(Nc3nc(-c4ccccn4)cs3)nc12.
What is the InChIKey of 4-methoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine?
The InChIKey is WSJSWLQVPVZOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4OS2/c1-21-12-6-4-7-13-14(12)19-16(23-13)20-15-18-11(9-22-15)10-5-2-3-8-17-10/h2-9H,1H3,(H,18,19,20).
What are the key properties of 4-methoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine?
4-methoxy-N-(4-pyridin-2-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-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 3240629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).