N-[5-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-3-pyridinyl]acetamide

C16H13N3O2S — CID 134434426

IUPACN-[5-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-3-pyridinyl]acetamide
SMILESCC(=O)Nc1cncc(-c2nc3c4c(ccc3s2)OCC4)c1
InChIInChI=1S/C16H13N3O2S/c1-9(20)18-11-6-10(7-17-8-11)16-19-15-12-4-5-21-13(12)2-3-14(15)22-16/h2-3,6-8H,4-5H2,1H3,(H,18,20)
InChIKeyTWFAGWSPKAJPRR-UHFFFAOYSA-N
MW311.37 g/mol
LogP3.25
Rot. Bonds2

About N-[5-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-3-pyridinyl]acetamide

N-[5-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-3-pyridinyl]acetamide (PubChem CID 134434426) has the molecular formula C16H13N3O2S and a molecular weight of 311.37 g/mol. Its IUPAC name is N-[5-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-3-pyridinyl]acetamide
PubChem CID134434426
Molecular FormulaC16H13N3O2S
Molecular Weight311.37 g/mol
Exact Mass311.07
IUPAC NameN-[5-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-3-pyridinyl]acetamide
SMILESCC(=O)Nc1cncc(-c2nc3c4c(ccc3s2)OCC4)c1
InChIInChI=1S/C16H13N3O2S/c1-9(20)18-11-6-10(7-17-8-11)16-19-15-12-4-5-21-13(12)2-3-14(15)22-16/h2-3,6-8H,4-5H2,1H3,(H,18,20)
InChIKeyTWFAGWSPKAJPRR-UHFFFAOYSA-N
XLogP3.25
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-3-pyridinyl]acetamide?
The IUPAC name of N-[5-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-3-pyridinyl]acetamide (CID 134434426) is N-[5-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-3-pyridinyl]acetamide.
What is the SMILES notation for N-[5-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-3-pyridinyl]acetamide?
The canonical SMILES for N-[5-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-3-pyridinyl]acetamide is CC(=O)Nc1cncc(-c2nc3c4c(ccc3s2)OCC4)c1.
What is the InChIKey of N-[5-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-3-pyridinyl]acetamide?
The InChIKey is TWFAGWSPKAJPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2S/c1-9(20)18-11-6-10(7-17-8-11)16-19-15-12-4-5-21-13(12)2-3-14(15)22-16/h2-3,6-8H,4-5H2,1H3,(H,18,20).
What are the key properties of N-[5-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-3-pyridinyl]acetamide?
N-[5-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-3-pyridinyl]acetamide has a molecular weight of 311.37 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-3-pyridinyl]acetamide is sourced from PubChem (CID 134434426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).