4-methyl-N-[5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-phenoxy-2-pyridinyl]-1,3-thiazol-2-amine

C19H16N4OS3 — CID 24765373

About 4-methyl-N-[5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-phenoxy-2-pyridinyl]-1,3-thiazol-2-amine

4-methyl-N-[5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-phenoxy-2-pyridinyl]-1,3-thiazol-2-amine (PubChem CID 24765373) has the molecular formula C19H16N4OS3 and a molecular weight of 412.57 g/mol. Its IUPAC name is 4-methyl-N-[5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-phenoxy-2-pyridinyl]-1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: 4-methyl-N-[5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-phenoxy-2-pyridinyl]-1,3-thiazol-2-amine
• PubChem CID: 24765373
• Molecular Formula: C19H16N4OS3
• Molecular Weight: 412.57 g/mol
• Exact Mass: 412.05
• IUPAC Name: 4-methyl-N-[5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-phenoxy-2-pyridinyl]-1,3-thiazol-2-amine
• SMILES: Cc1csc(Nc2ncc(Sc3nc(C)cs3)cc2Oc2ccccc2)n1
• InChI: InChI=1S/C19H16N4OS3/c1-12-10-25-18(21-12)23-17-16(24-14-6-4-3-5-7-14)8-15(9-20-17)27-19-22-13(2)11-26-19/h3-11H,1-2H3,(H,20,21,23)
• InChIKey: NQRDGYVQGICGCY-UHFFFAOYSA-N
• XLogP: 6.30
• TPSA: 59.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	412.57
LogP ≤ 5	6.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-phenoxy-2-pyridinyl]-1,3-thiazol-2-amine?

The IUPAC name of 4-methyl-N-[5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-phenoxy-2-pyridinyl]-1,3-thiazol-2-amine (CID 24765373) is 4-methyl-N-[5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-phenoxy-2-pyridinyl]-1,3-thiazol-2-amine.

What is the SMILES notation for 4-methyl-N-[5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-phenoxy-2-pyridinyl]-1,3-thiazol-2-amine?

The canonical SMILES for 4-methyl-N-[5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-phenoxy-2-pyridinyl]-1,3-thiazol-2-amine is Cc1csc(Nc2ncc(Sc3nc(C)cs3)cc2Oc2ccccc2)n1.

What is the InChIKey of 4-methyl-N-[5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-phenoxy-2-pyridinyl]-1,3-thiazol-2-amine?

The InChIKey is NQRDGYVQGICGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4OS3/c1-12-10-25-18(21-12)23-17-16(24-14-6-4-3-5-7-14)8-15(9-20-17)27-19-22-13(2)11-26-19/h3-11H,1-2H3,(H,20,21,23).

What are the key properties of 4-methyl-N-[5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-phenoxy-2-pyridinyl]-1,3-thiazol-2-amine?

4-methyl-N-[5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-phenoxy-2-pyridinyl]-1,3-thiazol-2-amine has a molecular weight of 412.57 g/mol, XLogP of 6.30, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-N-[5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-phenoxy-2-pyridinyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 24765373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).