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

C15H11ClN2OS2 — CID 122245114

IUPAC1,3-benzothiazol-2-yl-(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
SMILESO=C(c1nc2ccccc2s1)N1CCc2sc(Cl)cc2C1
InChIInChI=1S/C15H11ClN2OS2/c16-13-7-9-8-18(6-5-11(9)20-13)15(19)14-17-10-3-1-2-4-12(10)21-14/h1-4,7H,5-6,8H2
InChIKeyAVRACLABCJIUOQ-UHFFFAOYSA-N
MW334.85 g/mol
LogP4.21
Rot. Bonds1

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

1,3-benzothiazol-2-yl-(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone (PubChem CID 122245114) has the molecular formula C15H11ClN2OS2 and a molecular weight of 334.85 g/mol. Its IUPAC name is 1,3-benzothiazol-2-yl-(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name1,3-benzothiazol-2-yl-(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
PubChem CID122245114
Molecular FormulaC15H11ClN2OS2
Molecular Weight334.85 g/mol
Exact Mass334.00
IUPAC Name1,3-benzothiazol-2-yl-(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
SMILESO=C(c1nc2ccccc2s1)N1CCc2sc(Cl)cc2C1
InChIInChI=1S/C15H11ClN2OS2/c16-13-7-9-8-18(6-5-11(9)20-13)15(19)14-17-10-3-1-2-4-12(10)21-14/h1-4,7H,5-6,8H2
InChIKeyAVRACLABCJIUOQ-UHFFFAOYSA-N
XLogP4.21
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1,3-benzothiazol-2-yl-(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3-benzothiazol-2-yl-(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
The IUPAC name of 1,3-benzothiazol-2-yl-(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone (CID 122245114) is 1,3-benzothiazol-2-yl-(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone.
What is the SMILES notation for 1,3-benzothiazol-2-yl-(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
The canonical SMILES for 1,3-benzothiazol-2-yl-(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone is O=C(c1nc2ccccc2s1)N1CCc2sc(Cl)cc2C1.
What is the InChIKey of 1,3-benzothiazol-2-yl-(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
The InChIKey is AVRACLABCJIUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2OS2/c16-13-7-9-8-18(6-5-11(9)20-13)15(19)14-17-10-3-1-2-4-12(10)21-14/h1-4,7H,5-6,8H2.
What are the key properties of 1,3-benzothiazol-2-yl-(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
1,3-benzothiazol-2-yl-(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone has a molecular weight of 334.85 g/mol, XLogP of 4.21, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzothiazol-2-yl-(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone is sourced from PubChem (CID 122245114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).