(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl 2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]acetate

C18H16N2O3S2 — CID 99804114

IUPAC(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl 2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]acetate
SMILESO=C(C[C@@H]1OCCc2ccsc21)OCc1csc(-c2ccccn2)n1
InChIInChI=1S/C18H16N2O3S2/c21-16(9-15-17-12(4-7-22-15)5-8-24-17)23-10-13-11-25-18(20-13)14-3-1-2-6-19-14/h1-3,5-6,8,11,15H,4,7,9-10H2/t15-/m0/s1
InChIKeyVPWLMKUQHJFXQV-HNNXBMFYSA-N
MW372.47 g/mol
LogP4.01
Rot. Bonds5

About (2-pyridin-2-yl-1,3-thiazol-4-yl)methyl 2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]acetate

(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl 2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]acetate (PubChem CID 99804114) has the molecular formula C18H16N2O3S2 and a molecular weight of 372.47 g/mol. Its IUPAC name is (2-pyridin-2-yl-1,3-thiazol-4-yl)methyl 2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]acetate.

Molecular Properties

Compound Name(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl 2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]acetate
PubChem CID99804114
Molecular FormulaC18H16N2O3S2
Molecular Weight372.47 g/mol
Exact Mass372.06
IUPAC Name(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl 2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]acetate
SMILESO=C(C[C@@H]1OCCc2ccsc21)OCc1csc(-c2ccccn2)n1
InChIInChI=1S/C18H16N2O3S2/c21-16(9-15-17-12(4-7-22-15)5-8-24-17)23-10-13-11-25-18(20-13)14-3-1-2-6-19-14/h1-3,5-6,8,11,15H,4,7,9-10H2/t15-/m0/s1
InChIKeyVPWLMKUQHJFXQV-HNNXBMFYSA-N
XLogP4.01
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (2-pyridin-2-yl-1,3-thiazol-4-yl)methyl 2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]acetate with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2-pyridin-2-yl-1,3-thiazol-4-yl)methyl 2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]acetate?
The IUPAC name of (2-pyridin-2-yl-1,3-thiazol-4-yl)methyl 2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]acetate (CID 99804114) is (2-pyridin-2-yl-1,3-thiazol-4-yl)methyl 2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]acetate.
What is the SMILES notation for (2-pyridin-2-yl-1,3-thiazol-4-yl)methyl 2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]acetate?
The canonical SMILES for (2-pyridin-2-yl-1,3-thiazol-4-yl)methyl 2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]acetate is O=C(C[C@@H]1OCCc2ccsc21)OCc1csc(-c2ccccn2)n1.
What is the InChIKey of (2-pyridin-2-yl-1,3-thiazol-4-yl)methyl 2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]acetate?
The InChIKey is VPWLMKUQHJFXQV-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H16N2O3S2/c21-16(9-15-17-12(4-7-22-15)5-8-24-17)23-10-13-11-25-18(20-13)14-3-1-2-6-19-14/h1-3,5-6,8,11,15H,4,7,9-10H2/t15-/m0/s1.
What are the key properties of (2-pyridin-2-yl-1,3-thiazol-4-yl)methyl 2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]acetate?
(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl 2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]acetate has a molecular weight of 372.47 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-pyridin-2-yl-1,3-thiazol-4-yl)methyl 2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]acetate is sourced from PubChem (CID 99804114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).