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

C21H16N2OS3 — CID 55440089

IUPAC(2-phenyl-1,3-thiazol-4-yl)-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
SMILESO=C(c1csc(-c2ccccc2)n1)N1CCc2sccc2C1c1cccs1
InChIInChI=1S/C21H16N2OS3/c24-21(16-13-27-20(22-16)14-5-2-1-3-6-14)23-10-8-17-15(9-12-26-17)19(23)18-7-4-11-25-18/h1-7,9,11-13,19H,8,10H2
InChIKeyUPPQWKDXDSXGCA-UHFFFAOYSA-N
MW408.57 g/mol
LogP5.72
Rot. Bonds3

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

(2-phenyl-1,3-thiazol-4-yl)-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone (PubChem CID 55440089) has the molecular formula C21H16N2OS3 and a molecular weight of 408.57 g/mol. Its IUPAC name is (2-phenyl-1,3-thiazol-4-yl)-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name(2-phenyl-1,3-thiazol-4-yl)-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
PubChem CID55440089
Molecular FormulaC21H16N2OS3
Molecular Weight408.57 g/mol
Exact Mass408.04
IUPAC Name(2-phenyl-1,3-thiazol-4-yl)-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
SMILESO=C(c1csc(-c2ccccc2)n1)N1CCc2sccc2C1c1cccs1
InChIInChI=1S/C21H16N2OS3/c24-21(16-13-27-20(22-16)14-5-2-1-3-6-14)23-10-8-17-15(9-12-26-17)19(23)18-7-4-11-25-18/h1-7,9,11-13,19H,8,10H2
InChIKeyUPPQWKDXDSXGCA-UHFFFAOYSA-N
XLogP5.72
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.57
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-phenyl-1,3-thiazol-4-yl)-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
The IUPAC name of (2-phenyl-1,3-thiazol-4-yl)-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone (CID 55440089) is (2-phenyl-1,3-thiazol-4-yl)-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone.
What is the SMILES notation for (2-phenyl-1,3-thiazol-4-yl)-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
The canonical SMILES for (2-phenyl-1,3-thiazol-4-yl)-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone is O=C(c1csc(-c2ccccc2)n1)N1CCc2sccc2C1c1cccs1.
What is the InChIKey of (2-phenyl-1,3-thiazol-4-yl)-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
The InChIKey is UPPQWKDXDSXGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2OS3/c24-21(16-13-27-20(22-16)14-5-2-1-3-6-14)23-10-8-17-15(9-12-26-17)19(23)18-7-4-11-25-18/h1-7,9,11-13,19H,8,10H2.
What are the key properties of (2-phenyl-1,3-thiazol-4-yl)-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
(2-phenyl-1,3-thiazol-4-yl)-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone has a molecular weight of 408.57 g/mol, XLogP of 5.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-1,3-thiazol-4-yl)-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone is sourced from PubChem (CID 55440089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).