5,7-bis(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine

C19H16N4O2S — CID 123793411

IUPAC5,7-bis(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine
SMILESCOc1cncc(-c2cc(-c3cncc(OC)c3)c3sc(N)nc3c2)c1
InChIInChI=1S/C19H16N4O2S/c1-24-14-3-12(7-21-9-14)11-5-16(13-4-15(25-2)10-22-8-13)18-17(6-11)23-19(20)26-18/h3-10H,1-2H3,(H2,20,23)
InChIKeyGZFJQHPCLSWLHJ-UHFFFAOYSA-N
MW364.43 g/mol
LogP4.02
Rot. Bonds4

About 5,7-bis(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine

5,7-bis(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine (PubChem CID 123793411) has the molecular formula C19H16N4O2S and a molecular weight of 364.43 g/mol. Its IUPAC name is 5,7-bis(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name5,7-bis(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine
PubChem CID123793411
Molecular FormulaC19H16N4O2S
Molecular Weight364.43 g/mol
Exact Mass364.10
IUPAC Name5,7-bis(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine
SMILESCOc1cncc(-c2cc(-c3cncc(OC)c3)c3sc(N)nc3c2)c1
InChIInChI=1S/C19H16N4O2S/c1-24-14-3-12(7-21-9-14)11-5-16(13-4-15(25-2)10-22-8-13)18-17(6-11)23-19(20)26-18/h3-10H,1-2H3,(H2,20,23)
InChIKeyGZFJQHPCLSWLHJ-UHFFFAOYSA-N
XLogP4.02
TPSA83.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-methoxy-7-phenyl-1,3-benzothiazol-2-amine;(3-methoxy-5-phenylphenyl)thiourea
CID 162236937
4-(5-methoxy-3-pyridinyl)pyridin-2-amine
CID 104877368
7-(3-fluoro-2-pyridinyl)-5-pyridin-3-yl-1,3-benzothiazol-2-amine
CID 123354263
5-methoxy-[1,3]thiazolo[5,4-e][1,3]benzothiazole-2,7-diamine
CID 15180051
6-(5-methoxy-3-pyridinyl)pyridin-2-amine
CID 39834222
6-(5-methoxy-3-pyridinyl)-1,3-benzothiazole-2-carbaldehyde
CID 122447509
3-tert-butyl-5-methoxypyridine
CID 21031507
5-(3-fluoro-5-methoxyphenyl)pyridin-3-amine
CID 168655350
3-methoxy-5-(5-pyridin-3-ylthiophen-2-yl)pyridine
CID 177401684
CID 158604119
CID 158604119
3-methoxy-5-[2-(trifluoromethyl)phenyl]pyridine
CID 134627152
2-[2-(5-methoxy-3-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]propan-2-ol
CID 59829481

Frequently Asked Questions

What is the IUPAC name of 5,7-bis(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 5,7-bis(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine (CID 123793411) is 5,7-bis(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 5,7-bis(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 5,7-bis(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine is COc1cncc(-c2cc(-c3cncc(OC)c3)c3sc(N)nc3c2)c1.
What is the InChIKey of 5,7-bis(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine?
The InChIKey is GZFJQHPCLSWLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S/c1-24-14-3-12(7-21-9-14)11-5-16(13-4-15(25-2)10-22-8-13)18-17(6-11)23-19(20)26-18/h3-10H,1-2H3,(H2,20,23).
What are the key properties of 5,7-bis(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine?
5,7-bis(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine has a molecular weight of 364.43 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-bis(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 123793411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).