4-[4-[2-(6-methoxy-3-pyridinyl)-1,3-thiazol-5-yl]phenyl]-1,4-thiazinane 1-oxide

C19H19N3O2S2 — CID 166839611

IUPAC4-[4-[2-(6-methoxy-3-pyridinyl)-1,3-thiazol-5-yl]phenyl]-1,4-thiazinane 1-oxide
SMILESCOc1ccc(-c2ncc(-c3ccc(N4CCS(=O)CC4)cc3)s2)cn1
InChIInChI=1S/C19H19N3O2S2/c1-24-18-7-4-15(12-20-18)19-21-13-17(25-19)14-2-5-16(6-3-14)22-8-10-26(23)11-9-22/h2-7,12-13H,8-11H2,1H3
InChIKeyRPFIBYWJNHNTIE-UHFFFAOYSA-N
MW385.51 g/mol
LogP3.45
Rot. Bonds4

About 4-[4-[2-(6-methoxy-3-pyridinyl)-1,3-thiazol-5-yl]phenyl]-1,4-thiazinane 1-oxide

4-[4-[2-(6-methoxy-3-pyridinyl)-1,3-thiazol-5-yl]phenyl]-1,4-thiazinane 1-oxide (PubChem CID 166839611) has the molecular formula C19H19N3O2S2 and a molecular weight of 385.51 g/mol. Its IUPAC name is 4-[4-[2-(6-methoxy-3-pyridinyl)-1,3-thiazol-5-yl]phenyl]-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name4-[4-[2-(6-methoxy-3-pyridinyl)-1,3-thiazol-5-yl]phenyl]-1,4-thiazinane 1-oxide
PubChem CID166839611
Molecular FormulaC19H19N3O2S2
Molecular Weight385.51 g/mol
Exact Mass385.09
IUPAC Name4-[4-[2-(6-methoxy-3-pyridinyl)-1,3-thiazol-5-yl]phenyl]-1,4-thiazinane 1-oxide
SMILESCOc1ccc(-c2ncc(-c3ccc(N4CCS(=O)CC4)cc3)s2)cn1
InChIInChI=1S/C19H19N3O2S2/c1-24-18-7-4-15(12-20-18)19-21-13-17(25-19)14-2-5-16(6-3-14)22-8-10-26(23)11-9-22/h2-7,12-13H,8-11H2,1H3
InChIKeyRPFIBYWJNHNTIE-UHFFFAOYSA-N
XLogP3.45
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(6-methoxy-3-pyridinyl)-1,3-thiazol-5-yl]phenyl]-1,4-thiazinane 1-oxide?
The IUPAC name of 4-[4-[2-(6-methoxy-3-pyridinyl)-1,3-thiazol-5-yl]phenyl]-1,4-thiazinane 1-oxide (CID 166839611) is 4-[4-[2-(6-methoxy-3-pyridinyl)-1,3-thiazol-5-yl]phenyl]-1,4-thiazinane 1-oxide.
What is the SMILES notation for 4-[4-[2-(6-methoxy-3-pyridinyl)-1,3-thiazol-5-yl]phenyl]-1,4-thiazinane 1-oxide?
The canonical SMILES for 4-[4-[2-(6-methoxy-3-pyridinyl)-1,3-thiazol-5-yl]phenyl]-1,4-thiazinane 1-oxide is COc1ccc(-c2ncc(-c3ccc(N4CCS(=O)CC4)cc3)s2)cn1.
What is the InChIKey of 4-[4-[2-(6-methoxy-3-pyridinyl)-1,3-thiazol-5-yl]phenyl]-1,4-thiazinane 1-oxide?
The InChIKey is RPFIBYWJNHNTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S2/c1-24-18-7-4-15(12-20-18)19-21-13-17(25-19)14-2-5-16(6-3-14)22-8-10-26(23)11-9-22/h2-7,12-13H,8-11H2,1H3.
What are the key properties of 4-[4-[2-(6-methoxy-3-pyridinyl)-1,3-thiazol-5-yl]phenyl]-1,4-thiazinane 1-oxide?
4-[4-[2-(6-methoxy-3-pyridinyl)-1,3-thiazol-5-yl]phenyl]-1,4-thiazinane 1-oxide has a molecular weight of 385.51 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(6-methoxy-3-pyridinyl)-1,3-thiazol-5-yl]phenyl]-1,4-thiazinane 1-oxide is sourced from PubChem (CID 166839611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).