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

C14H14N2OS2 — CID 64976301

IUPAC2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-6,7-dihydro-5H-1,3-benzothiazol-4-one
SMILESO=C1CCCc2sc(N3CCc4sccc4C3)nc21
InChIInChI=1S/C14H14N2OS2/c17-10-2-1-3-12-13(10)15-14(19-12)16-6-4-11-9(8-16)5-7-18-11/h5,7H,1-4,6,8H2
InChIKeyKDZZXLFRPOPMOC-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.29
Rot. Bonds1

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

2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-6,7-dihydro-5H-1,3-benzothiazol-4-one (PubChem CID 64976301) has the molecular formula C14H14N2OS2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-6,7-dihydro-5H-1,3-benzothiazol-4-one.

Molecular Properties

Compound Name2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-6,7-dihydro-5H-1,3-benzothiazol-4-one
PubChem CID64976301
Molecular FormulaC14H14N2OS2
Molecular Weight290.41 g/mol
Exact Mass290.05
IUPAC Name2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-6,7-dihydro-5H-1,3-benzothiazol-4-one
SMILESO=C1CCCc2sc(N3CCc4sccc4C3)nc21
InChIInChI=1S/C14H14N2OS2/c17-10-2-1-3-12-13(10)15-14(19-12)16-6-4-11-9(8-16)5-7-18-11/h5,7H,1-4,6,8H2
InChIKeyKDZZXLFRPOPMOC-UHFFFAOYSA-N
XLogP3.29
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-methyl-1,3-thiazol-5-yl]methanol
CID 55117477
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-propyl-1,3-thiazole-5-carbaldehyde
CID 62764732
1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-methyl-1,3-thiazol-5-yl]ethanol
CID 62753320
1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 62765356
1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3-thiazol-5-yl]ethanone
CID 62757260
5-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 71925337
2-amino-2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3-thiazol-4-yl]acetic acid
CID 113423014
5-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 62868181
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 62702331
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)thieno[3,2-d]pyrimidine
CID 24607532
N-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 62765360
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1H-1,2,4-triazol-5-amine
CID 66276232

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-6,7-dihydro-5H-1,3-benzothiazol-4-one?
The IUPAC name of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-6,7-dihydro-5H-1,3-benzothiazol-4-one (CID 64976301) is 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-6,7-dihydro-5H-1,3-benzothiazol-4-one.
What is the SMILES notation for 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-6,7-dihydro-5H-1,3-benzothiazol-4-one?
The canonical SMILES for 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-6,7-dihydro-5H-1,3-benzothiazol-4-one is O=C1CCCc2sc(N3CCc4sccc4C3)nc21.
What is the InChIKey of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-6,7-dihydro-5H-1,3-benzothiazol-4-one?
The InChIKey is KDZZXLFRPOPMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS2/c17-10-2-1-3-12-13(10)15-14(19-12)16-6-4-11-9(8-16)5-7-18-11/h5,7H,1-4,6,8H2.
What are the key properties of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-6,7-dihydro-5H-1,3-benzothiazol-4-one?
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-6,7-dihydro-5H-1,3-benzothiazol-4-one has a molecular weight of 290.41 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-6,7-dihydro-5H-1,3-benzothiazol-4-one is sourced from PubChem (CID 64976301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).