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

C19H20N2O3S2 — CID 92594192

IUPAC(5S,7S)-5-(1,3-thiazol-2-yl)-7-(3,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
SMILESCOc1cc([C@@H]2N[C@H](c3nccs3)Cc3ccsc32)cc(OC)c1OC
InChIInChI=1S/C19H20N2O3S2/c1-22-14-9-12(10-15(23-2)17(14)24-3)16-18-11(4-6-25-18)8-13(21-16)19-20-5-7-26-19/h4-7,9-10,13,16,21H,8H2,1-3H3/t13-,16-/m0/s1
InChIKeyUFLJRSKXHRJQQR-BBRMVZONSA-N
MW388.51 g/mol
LogP4.21
Rot. Bonds5

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

(5S,7S)-5-(1,3-thiazol-2-yl)-7-(3,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine (PubChem CID 92594192) has the molecular formula C19H20N2O3S2 and a molecular weight of 388.51 g/mol. Its IUPAC name is (5S,7S)-5-(1,3-thiazol-2-yl)-7-(3,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine.

Molecular Properties

Compound Name(5S,7S)-5-(1,3-thiazol-2-yl)-7-(3,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
PubChem CID92594192
Molecular FormulaC19H20N2O3S2
Molecular Weight388.51 g/mol
Exact Mass388.09
IUPAC Name(5S,7S)-5-(1,3-thiazol-2-yl)-7-(3,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
SMILESCOc1cc([C@@H]2N[C@H](c3nccs3)Cc3ccsc32)cc(OC)c1OC
InChIInChI=1S/C19H20N2O3S2/c1-22-14-9-12(10-15(23-2)17(14)24-3)16-18-11(4-6-25-18)8-13(21-16)19-20-5-7-26-19/h4-7,9-10,13,16,21H,8H2,1-3H3/t13-,16-/m0/s1
InChIKeyUFLJRSKXHRJQQR-BBRMVZONSA-N
XLogP4.21
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (5S,7S)-5-(1,3-thiazol-2-yl)-7-(3,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine?
The IUPAC name of (5S,7S)-5-(1,3-thiazol-2-yl)-7-(3,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine (CID 92594192) is (5S,7S)-5-(1,3-thiazol-2-yl)-7-(3,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine.
What is the SMILES notation for (5S,7S)-5-(1,3-thiazol-2-yl)-7-(3,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine?
The canonical SMILES for (5S,7S)-5-(1,3-thiazol-2-yl)-7-(3,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine is COc1cc([C@@H]2N[C@H](c3nccs3)Cc3ccsc32)cc(OC)c1OC.
What is the InChIKey of (5S,7S)-5-(1,3-thiazol-2-yl)-7-(3,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine?
The InChIKey is UFLJRSKXHRJQQR-BBRMVZONSA-N. The full InChI is InChI=1S/C19H20N2O3S2/c1-22-14-9-12(10-15(23-2)17(14)24-3)16-18-11(4-6-25-18)8-13(21-16)19-20-5-7-26-19/h4-7,9-10,13,16,21H,8H2,1-3H3/t13-,16-/m0/s1.
What are the key properties of (5S,7S)-5-(1,3-thiazol-2-yl)-7-(3,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine?
(5S,7S)-5-(1,3-thiazol-2-yl)-7-(3,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine has a molecular weight of 388.51 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,7S)-5-(1,3-thiazol-2-yl)-7-(3,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine is sourced from PubChem (CID 92594192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).