(5S,7S)-7-(4-ethoxy-3-methoxyphenyl)-5-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine

C19H20N2O2S2 — CID 92587467

IUPAC(5S,7S)-7-(4-ethoxy-3-methoxyphenyl)-5-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
SMILESCCOc1ccc([C@@H]2N[C@H](c3nccs3)Cc3ccsc32)cc1OC
InChIInChI=1S/C19H20N2O2S2/c1-3-23-15-5-4-12(11-16(15)22-2)17-18-13(6-8-24-18)10-14(21-17)19-20-7-9-25-19/h4-9,11,14,17,21H,3,10H2,1-2H3/t14-,17-/m0/s1
InChIKeyPECRPKSMBGQWNV-YOEHRIQHSA-N
MW372.52 g/mol
LogP4.59
Rot. Bonds5

About (5S,7S)-7-(4-ethoxy-3-methoxyphenyl)-5-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine

(5S,7S)-7-(4-ethoxy-3-methoxyphenyl)-5-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine (PubChem CID 92587467) has the molecular formula C19H20N2O2S2 and a molecular weight of 372.52 g/mol. Its IUPAC name is (5S,7S)-7-(4-ethoxy-3-methoxyphenyl)-5-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine.

Molecular Properties

Compound Name(5S,7S)-7-(4-ethoxy-3-methoxyphenyl)-5-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
PubChem CID92587467
Molecular FormulaC19H20N2O2S2
Molecular Weight372.52 g/mol
Exact Mass372.10
IUPAC Name(5S,7S)-7-(4-ethoxy-3-methoxyphenyl)-5-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
SMILESCCOc1ccc([C@@H]2N[C@H](c3nccs3)Cc3ccsc32)cc1OC
InChIInChI=1S/C19H20N2O2S2/c1-3-23-15-5-4-12(11-16(15)22-2)17-18-13(6-8-24-18)10-14(21-17)19-20-7-9-25-19/h4-9,11,14,17,21H,3,10H2,1-2H3/t14-,17-/m0/s1
InChIKeyPECRPKSMBGQWNV-YOEHRIQHSA-N
XLogP4.59
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.52
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5S,7S)-7-(4-ethoxy-3-methoxyphenyl)-5-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine?
The IUPAC name of (5S,7S)-7-(4-ethoxy-3-methoxyphenyl)-5-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine (CID 92587467) is (5S,7S)-7-(4-ethoxy-3-methoxyphenyl)-5-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine.
What is the SMILES notation for (5S,7S)-7-(4-ethoxy-3-methoxyphenyl)-5-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine?
The canonical SMILES for (5S,7S)-7-(4-ethoxy-3-methoxyphenyl)-5-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine is CCOc1ccc([C@@H]2N[C@H](c3nccs3)Cc3ccsc32)cc1OC.
What is the InChIKey of (5S,7S)-7-(4-ethoxy-3-methoxyphenyl)-5-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine?
The InChIKey is PECRPKSMBGQWNV-YOEHRIQHSA-N. The full InChI is InChI=1S/C19H20N2O2S2/c1-3-23-15-5-4-12(11-16(15)22-2)17-18-13(6-8-24-18)10-14(21-17)19-20-7-9-25-19/h4-9,11,14,17,21H,3,10H2,1-2H3/t14-,17-/m0/s1.
What are the key properties of (5S,7S)-7-(4-ethoxy-3-methoxyphenyl)-5-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine?
(5S,7S)-7-(4-ethoxy-3-methoxyphenyl)-5-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine has a molecular weight of 372.52 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,7S)-7-(4-ethoxy-3-methoxyphenyl)-5-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine is sourced from PubChem (CID 92587467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).