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

C18H18N2O2S2 — CID 92600930

IUPAC(5S,7S)-7-(2,3-dimethoxyphenyl)-5-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
SMILESCOc1cccc([C@@H]2N[C@H](c3nccs3)Cc3ccsc32)c1OC
InChIInChI=1S/C18H18N2O2S2/c1-21-14-5-3-4-12(16(14)22-2)15-17-11(6-8-23-17)10-13(20-15)18-19-7-9-24-18/h3-9,13,15,20H,10H2,1-2H3/t13-,15-/m0/s1
InChIKeyRVWMHYVPSPWBKL-ZFWWWQNUSA-N
MW358.49 g/mol
LogP4.20
Rot. Bonds4

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

(5S,7S)-7-(2,3-dimethoxyphenyl)-5-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine (PubChem CID 92600930) has the molecular formula C18H18N2O2S2 and a molecular weight of 358.49 g/mol. Its IUPAC name is (5S,7S)-7-(2,3-dimethoxyphenyl)-5-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine.

Molecular Properties

Compound Name(5S,7S)-7-(2,3-dimethoxyphenyl)-5-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
PubChem CID92600930
Molecular FormulaC18H18N2O2S2
Molecular Weight358.49 g/mol
Exact Mass358.08
IUPAC Name(5S,7S)-7-(2,3-dimethoxyphenyl)-5-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
SMILESCOc1cccc([C@@H]2N[C@H](c3nccs3)Cc3ccsc32)c1OC
InChIInChI=1S/C18H18N2O2S2/c1-21-14-5-3-4-12(16(14)22-2)15-17-11(6-8-23-17)10-13(20-15)18-19-7-9-24-18/h3-9,13,15,20H,10H2,1-2H3/t13-,15-/m0/s1
InChIKeyRVWMHYVPSPWBKL-ZFWWWQNUSA-N
XLogP4.20
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5S,7S)-7-(2,3-dimethoxyphenyl)-5-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine?
The IUPAC name of (5S,7S)-7-(2,3-dimethoxyphenyl)-5-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine (CID 92600930) is (5S,7S)-7-(2,3-dimethoxyphenyl)-5-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine.
What is the SMILES notation for (5S,7S)-7-(2,3-dimethoxyphenyl)-5-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine?
The canonical SMILES for (5S,7S)-7-(2,3-dimethoxyphenyl)-5-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine is COc1cccc([C@@H]2N[C@H](c3nccs3)Cc3ccsc32)c1OC.
What is the InChIKey of (5S,7S)-7-(2,3-dimethoxyphenyl)-5-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine?
The InChIKey is RVWMHYVPSPWBKL-ZFWWWQNUSA-N. The full InChI is InChI=1S/C18H18N2O2S2/c1-21-14-5-3-4-12(16(14)22-2)15-17-11(6-8-23-17)10-13(20-15)18-19-7-9-24-18/h3-9,13,15,20H,10H2,1-2H3/t13-,15-/m0/s1.
What are the key properties of (5S,7S)-7-(2,3-dimethoxyphenyl)-5-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine?
(5S,7S)-7-(2,3-dimethoxyphenyl)-5-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine has a molecular weight of 358.49 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,7S)-7-(2,3-dimethoxyphenyl)-5-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine is sourced from PubChem (CID 92600930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).