(5-methyloxolan-2-yl)-[2-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone

C17H20N2O2S2 — CID 75515309

IUPAC(5-methyloxolan-2-yl)-[2-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
SMILESCc1nc(-c2cc3c(s2)CCN(C(=O)C2CCC(C)O2)C3)cs1
InChIInChI=1S/C17H20N2O2S2/c1-10-3-4-14(21-10)17(20)19-6-5-15-12(8-19)7-16(23-15)13-9-22-11(2)18-13/h7,9-10,14H,3-6,8H2,1-2H3
InChIKeyIVXHDZOGMYJPKZ-UHFFFAOYSA-N
MW348.49 g/mol
LogP3.63
Rot. Bonds2

About (5-methyloxolan-2-yl)-[2-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone

(5-methyloxolan-2-yl)-[2-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone (PubChem CID 75515309) has the molecular formula C17H20N2O2S2 and a molecular weight of 348.49 g/mol. Its IUPAC name is (5-methyloxolan-2-yl)-[2-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(5-methyloxolan-2-yl)-[2-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
PubChem CID75515309
Molecular FormulaC17H20N2O2S2
Molecular Weight348.49 g/mol
Exact Mass348.10
IUPAC Name(5-methyloxolan-2-yl)-[2-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
SMILESCc1nc(-c2cc3c(s2)CCN(C(=O)C2CCC(C)O2)C3)cs1
InChIInChI=1S/C17H20N2O2S2/c1-10-3-4-14(21-10)17(20)19-6-5-15-12(8-19)7-16(23-15)13-9-22-11(2)18-13/h7,9-10,14H,3-6,8H2,1-2H3
InChIKeyIVXHDZOGMYJPKZ-UHFFFAOYSA-N
XLogP3.63
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-methyloxolan-2-yl)-[2-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone?
The IUPAC name of (5-methyloxolan-2-yl)-[2-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone (CID 75515309) is (5-methyloxolan-2-yl)-[2-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone.
What is the SMILES notation for (5-methyloxolan-2-yl)-[2-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone?
The canonical SMILES for (5-methyloxolan-2-yl)-[2-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone is Cc1nc(-c2cc3c(s2)CCN(C(=O)C2CCC(C)O2)C3)cs1.
What is the InChIKey of (5-methyloxolan-2-yl)-[2-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone?
The InChIKey is IVXHDZOGMYJPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S2/c1-10-3-4-14(21-10)17(20)19-6-5-15-12(8-19)7-16(23-15)13-9-22-11(2)18-13/h7,9-10,14H,3-6,8H2,1-2H3.
What are the key properties of (5-methyloxolan-2-yl)-[2-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone?
(5-methyloxolan-2-yl)-[2-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone has a molecular weight of 348.49 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyloxolan-2-yl)-[2-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone is sourced from PubChem (CID 75515309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).