2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-yl)-1,3-benzothiazole

C14H12N2S2 — CID 46925878

IUPAC2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-yl)-1,3-benzothiazole
SMILESc1ccc2sc(-c3csc4c3CCNC4)nc2c1
InChIInChI=1S/C14H12N2S2/c1-2-4-12-11(3-1)16-14(18-12)10-8-17-13-7-15-6-5-9(10)13/h1-4,8,15H,5-7H2
InChIKeyRQZMMGGDXZSKFJ-UHFFFAOYSA-N
MW272.40 g/mol
LogP3.67
Rot. Bonds1

About 2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-yl)-1,3-benzothiazole

2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-yl)-1,3-benzothiazole (PubChem CID 46925878) has the molecular formula C14H12N2S2 and a molecular weight of 272.40 g/mol. Its IUPAC name is 2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-yl)-1,3-benzothiazole.

Molecular Properties

Compound Name2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-yl)-1,3-benzothiazole
PubChem CID46925878
Molecular FormulaC14H12N2S2
Molecular Weight272.40 g/mol
Exact Mass272.04
IUPAC Name2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-yl)-1,3-benzothiazole
SMILESc1ccc2sc(-c3csc4c3CCNC4)nc2c1
InChIInChI=1S/C14H12N2S2/c1-2-4-12-11(3-1)16-14(18-12)10-8-17-13-7-15-6-5-9(10)13/h1-4,8,15H,5-7H2
InChIKeyRQZMMGGDXZSKFJ-UHFFFAOYSA-N
XLogP3.67
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-yl)-1,3-benzothiazole?
The IUPAC name of 2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-yl)-1,3-benzothiazole (CID 46925878) is 2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-yl)-1,3-benzothiazole.
What is the SMILES notation for 2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-yl)-1,3-benzothiazole?
The canonical SMILES for 2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-yl)-1,3-benzothiazole is c1ccc2sc(-c3csc4c3CCNC4)nc2c1.
What is the InChIKey of 2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-yl)-1,3-benzothiazole?
The InChIKey is RQZMMGGDXZSKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2S2/c1-2-4-12-11(3-1)16-14(18-12)10-8-17-13-7-15-6-5-9(10)13/h1-4,8,15H,5-7H2.
What are the key properties of 2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-yl)-1,3-benzothiazole?
2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-yl)-1,3-benzothiazole has a molecular weight of 272.40 g/mol, XLogP of 3.67, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-yl)-1,3-benzothiazole is sourced from PubChem (CID 46925878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).