3-methyl-N-(3-phenoxy-5-pyridin-2-ylsulfanyl-2-pyridinyl)-1,2,4-thiadiazol-5-amine

C19H15N5OS2 — CID 24765289

IUPAC3-methyl-N-(3-phenoxy-5-pyridin-2-ylsulfanyl-2-pyridinyl)-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(Nc2ncc(Sc3ccccn3)cc2Oc2ccccc2)n1
InChIInChI=1S/C19H15N5OS2/c1-13-22-19(27-24-13)23-18-16(25-14-7-3-2-4-8-14)11-15(12-21-18)26-17-9-5-6-10-20-17/h2-12H,1H3,(H,21,22,23,24)
InChIKeyBPYMCNLKIVPLRZ-UHFFFAOYSA-N
MW393.50 g/mol
LogP5.32
Rot. Bonds6

About 3-methyl-N-(3-phenoxy-5-pyridin-2-ylsulfanyl-2-pyridinyl)-1,2,4-thiadiazol-5-amine

3-methyl-N-(3-phenoxy-5-pyridin-2-ylsulfanyl-2-pyridinyl)-1,2,4-thiadiazol-5-amine (PubChem CID 24765289) has the molecular formula C19H15N5OS2 and a molecular weight of 393.50 g/mol. Its IUPAC name is 3-methyl-N-(3-phenoxy-5-pyridin-2-ylsulfanyl-2-pyridinyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-methyl-N-(3-phenoxy-5-pyridin-2-ylsulfanyl-2-pyridinyl)-1,2,4-thiadiazol-5-amine
PubChem CID24765289
Molecular FormulaC19H15N5OS2
Molecular Weight393.50 g/mol
Exact Mass393.07
IUPAC Name3-methyl-N-(3-phenoxy-5-pyridin-2-ylsulfanyl-2-pyridinyl)-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(Nc2ncc(Sc3ccccn3)cc2Oc2ccccc2)n1
InChIInChI=1S/C19H15N5OS2/c1-13-22-19(27-24-13)23-18-16(25-14-7-3-2-4-8-14)11-15(12-21-18)26-17-9-5-6-10-20-17/h2-12H,1H3,(H,21,22,23,24)
InChIKeyBPYMCNLKIVPLRZ-UHFFFAOYSA-N
XLogP5.32
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.50
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-methyl-N-(3-phenoxy-5-pyridin-2-ylsulfanyl-2-pyridinyl)-1,2,4-thiadiazol-5-amine with MolForge

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Related Compounds

1-(4-(5-(3-(2-Methylpyridin-3-yloxy)-5-(pyridin-2-ylthio)pyridin-2-ylamino)-1,2,4-thiadiazol-3-yl)piperidin-1-yl)ethanone
CID 59291641
N-(3-(pyridin-3-yloxy)phenyl)-4-(thiazol-2-yl)pyrimidin-2-amine
CID 9902848
3-(benzyloxy)-5-(benzylthio)-N-(4-methylthiazol-2-yl)pyridin-2-amine
CID 16660174
3-(benzyloxy)-N-(4-methylthiazol-2-yl)-5-(pyridin-2-ylmethylthio)pyridin-2-amine
CID 16660507
4-methyl-N-(3-phenylmethoxy-5-pyridin-2-ylsulfanyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 16660671
4-methyl-N-(3-phenoxy-5-pyridin-4-ylsulfanyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 24765183
4-methyl-N-(3-phenoxy-5-phenylsulfanyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 24765540
N-(5-benzylsulfanyl-3-phenoxy-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine
CID 24765640
4-methyl-N-(3-phenoxy-2-pyridinyl)-1,3-thiazol-2-amine
CID 24765842
(R)-2-hydroxy-1-(4-(5-(3-phenoxy-5-(pyridin-2-ylthio)pyridin-2-ylamino)-1,2,4-thiadiazol-3-yl)piperidin-1-yl)propan-1-one
CID 25099728
2-[4-(2-Piperidin-1-ylethoxy)phenoxy]-[1,3]thiazolo[4,5-b]pyridine
CID 57448332
4-cyclopropyl-N-(3-phenoxy-5-pyridin-4-ylsulfanyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 57742580

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3-phenoxy-5-pyridin-2-ylsulfanyl-2-pyridinyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-methyl-N-(3-phenoxy-5-pyridin-2-ylsulfanyl-2-pyridinyl)-1,2,4-thiadiazol-5-amine (CID 24765289) is 3-methyl-N-(3-phenoxy-5-pyridin-2-ylsulfanyl-2-pyridinyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-methyl-N-(3-phenoxy-5-pyridin-2-ylsulfanyl-2-pyridinyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-methyl-N-(3-phenoxy-5-pyridin-2-ylsulfanyl-2-pyridinyl)-1,2,4-thiadiazol-5-amine is Cc1nsc(Nc2ncc(Sc3ccccn3)cc2Oc2ccccc2)n1.
What is the InChIKey of 3-methyl-N-(3-phenoxy-5-pyridin-2-ylsulfanyl-2-pyridinyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is BPYMCNLKIVPLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5OS2/c1-13-22-19(27-24-13)23-18-16(25-14-7-3-2-4-8-14)11-15(12-21-18)26-17-9-5-6-10-20-17/h2-12H,1H3,(H,21,22,23,24).
What are the key properties of 3-methyl-N-(3-phenoxy-5-pyridin-2-ylsulfanyl-2-pyridinyl)-1,2,4-thiadiazol-5-amine?
3-methyl-N-(3-phenoxy-5-pyridin-2-ylsulfanyl-2-pyridinyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 393.50 g/mol, XLogP of 5.32, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-phenoxy-5-pyridin-2-ylsulfanyl-2-pyridinyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 24765289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).