4-methyl-5-pyridin-2-ylsulfinyl-1,3-thiazol-2-amine

C9H9N3OS2 — CID 15729189

IUPAC4-methyl-5-pyridin-2-ylsulfinyl-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1S(=O)c1ccccn1
InChIInChI=1S/C9H9N3OS2/c1-6-8(14-9(10)12-6)15(13)7-4-2-3-5-11-7/h2-5H,1H3,(H2,10,12)
InChIKeyOHDZZFJEVYLORR-UHFFFAOYSA-N
MW239.33 g/mol
LogP1.60
Rot. Bonds2

About 4-methyl-5-pyridin-2-ylsulfinyl-1,3-thiazol-2-amine

4-methyl-5-pyridin-2-ylsulfinyl-1,3-thiazol-2-amine (PubChem CID 15729189) has the molecular formula C9H9N3OS2 and a molecular weight of 239.33 g/mol. Its IUPAC name is 4-methyl-5-pyridin-2-ylsulfinyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-5-pyridin-2-ylsulfinyl-1,3-thiazol-2-amine
PubChem CID15729189
Molecular FormulaC9H9N3OS2
Molecular Weight239.33 g/mol
Exact Mass239.02
IUPAC Name4-methyl-5-pyridin-2-ylsulfinyl-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1S(=O)c1ccccn1
InChIInChI=1S/C9H9N3OS2/c1-6-8(14-9(10)12-6)15(13)7-4-2-3-5-11-7/h2-5H,1H3,(H2,10,12)
InChIKeyOHDZZFJEVYLORR-UHFFFAOYSA-N
XLogP1.60
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-pyridin-2-ylsulfinyl-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-5-pyridin-2-ylsulfinyl-1,3-thiazol-2-amine (CID 15729189) is 4-methyl-5-pyridin-2-ylsulfinyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-5-pyridin-2-ylsulfinyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-5-pyridin-2-ylsulfinyl-1,3-thiazol-2-amine is Cc1nc(N)sc1S(=O)c1ccccn1.
What is the InChIKey of 4-methyl-5-pyridin-2-ylsulfinyl-1,3-thiazol-2-amine?
The InChIKey is OHDZZFJEVYLORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3OS2/c1-6-8(14-9(10)12-6)15(13)7-4-2-3-5-11-7/h2-5H,1H3,(H2,10,12).
What are the key properties of 4-methyl-5-pyridin-2-ylsulfinyl-1,3-thiazol-2-amine?
4-methyl-5-pyridin-2-ylsulfinyl-1,3-thiazol-2-amine has a molecular weight of 239.33 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-pyridin-2-ylsulfinyl-1,3-thiazol-2-amine is sourced from PubChem (CID 15729189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).