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

C17H16N2S2 — CID 92563962

IUPAC(5S,7S)-5-(4-methyl-1,3-thiazol-2-yl)-7-phenyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
SMILESCc1csc([C@@H]2Cc3ccsc3[C@H](c3ccccc3)N2)n1
InChIInChI=1S/C17H16N2S2/c1-11-10-21-17(18-11)14-9-13-7-8-20-16(13)15(19-14)12-5-3-2-4-6-12/h2-8,10,14-15,19H,9H2,1H3/t14-,15-/m0/s1
InChIKeyPCFPAIYJERCRGA-GJZGRUSLSA-N
MW312.46 g/mol
LogP4.49
Rot. Bonds2

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

(5S,7S)-5-(4-methyl-1,3-thiazol-2-yl)-7-phenyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine (PubChem CID 92563962) has the molecular formula C17H16N2S2 and a molecular weight of 312.46 g/mol. Its IUPAC name is (5S,7S)-5-(4-methyl-1,3-thiazol-2-yl)-7-phenyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine.

Molecular Properties

Compound Name(5S,7S)-5-(4-methyl-1,3-thiazol-2-yl)-7-phenyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
PubChem CID92563962
Molecular FormulaC17H16N2S2
Molecular Weight312.46 g/mol
Exact Mass312.08
IUPAC Name(5S,7S)-5-(4-methyl-1,3-thiazol-2-yl)-7-phenyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
SMILESCc1csc([C@@H]2Cc3ccsc3[C@H](c3ccccc3)N2)n1
InChIInChI=1S/C17H16N2S2/c1-11-10-21-17(18-11)14-9-13-7-8-20-16(13)15(19-14)12-5-3-2-4-6-12/h2-8,10,14-15,19H,9H2,1H3/t14-,15-/m0/s1
InChIKeyPCFPAIYJERCRGA-GJZGRUSLSA-N
XLogP4.49
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S,7S)-5-(4-methyl-1,3-thiazol-2-yl)-7-phenyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine?
The IUPAC name of (5S,7S)-5-(4-methyl-1,3-thiazol-2-yl)-7-phenyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine (CID 92563962) is (5S,7S)-5-(4-methyl-1,3-thiazol-2-yl)-7-phenyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine.
What is the SMILES notation for (5S,7S)-5-(4-methyl-1,3-thiazol-2-yl)-7-phenyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine?
The canonical SMILES for (5S,7S)-5-(4-methyl-1,3-thiazol-2-yl)-7-phenyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine is Cc1csc([C@@H]2Cc3ccsc3[C@H](c3ccccc3)N2)n1.
What is the InChIKey of (5S,7S)-5-(4-methyl-1,3-thiazol-2-yl)-7-phenyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine?
The InChIKey is PCFPAIYJERCRGA-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H16N2S2/c1-11-10-21-17(18-11)14-9-13-7-8-20-16(13)15(19-14)12-5-3-2-4-6-12/h2-8,10,14-15,19H,9H2,1H3/t14-,15-/m0/s1.
What are the key properties of (5S,7S)-5-(4-methyl-1,3-thiazol-2-yl)-7-phenyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine?
(5S,7S)-5-(4-methyl-1,3-thiazol-2-yl)-7-phenyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine has a molecular weight of 312.46 g/mol, XLogP of 4.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,7S)-5-(4-methyl-1,3-thiazol-2-yl)-7-phenyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine is sourced from PubChem (CID 92563962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).