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

C18H19N3OS2 — CID 3470635

IUPACN-[3-(1,3-benzothiazol-2-yl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide
SMILESCCN1CCc2c(sc(NC(C)=O)c2-c2nc3ccccc3s2)C1
InChIInChI=1S/C18H19N3OS2/c1-3-21-9-8-12-15(10-21)24-17(19-11(2)22)16(12)18-20-13-6-4-5-7-14(13)23-18/h4-7H,3,8-10H2,1-2H3,(H,19,22)
InChIKeyOOLMJPFYFPXOCB-UHFFFAOYSA-N
MW357.50 g/mol
LogP4.36
Rot. Bonds3

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

N-[3-(1,3-benzothiazol-2-yl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide (PubChem CID 3470635) has the molecular formula C18H19N3OS2 and a molecular weight of 357.50 g/mol. Its IUPAC name is N-[3-(1,3-benzothiazol-2-yl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide.

Molecular Properties

Compound NameN-[3-(1,3-benzothiazol-2-yl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide
PubChem CID3470635
Molecular FormulaC18H19N3OS2
Molecular Weight357.50 g/mol
Exact Mass357.10
IUPAC NameN-[3-(1,3-benzothiazol-2-yl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide
SMILESCCN1CCc2c(sc(NC(C)=O)c2-c2nc3ccccc3s2)C1
InChIInChI=1S/C18H19N3OS2/c1-3-21-9-8-12-15(10-21)24-17(19-11(2)22)16(12)18-20-13-6-4-5-7-14(13)23-18/h4-7H,3,8-10H2,1-2H3,(H,19,22)
InChIKeyOOLMJPFYFPXOCB-UHFFFAOYSA-N
XLogP4.36
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzothiazol-2-yl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide?
The IUPAC name of N-[3-(1,3-benzothiazol-2-yl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide (CID 3470635) is N-[3-(1,3-benzothiazol-2-yl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide.
What is the SMILES notation for N-[3-(1,3-benzothiazol-2-yl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide?
The canonical SMILES for N-[3-(1,3-benzothiazol-2-yl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide is CCN1CCc2c(sc(NC(C)=O)c2-c2nc3ccccc3s2)C1.
What is the InChIKey of N-[3-(1,3-benzothiazol-2-yl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide?
The InChIKey is OOLMJPFYFPXOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS2/c1-3-21-9-8-12-15(10-21)24-17(19-11(2)22)16(12)18-20-13-6-4-5-7-14(13)23-18/h4-7H,3,8-10H2,1-2H3,(H,19,22).
What are the key properties of N-[3-(1,3-benzothiazol-2-yl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide?
N-[3-(1,3-benzothiazol-2-yl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide has a molecular weight of 357.50 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-benzothiazol-2-yl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide is sourced from PubChem (CID 3470635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).