N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)thiophene-2-carboxamide

C14H10N2O3S2 — CID 7202770

IUPACN-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)thiophene-2-carboxamide
SMILESO=C(Nc1nc2cc3c(cc2s1)OCCO3)c1cccs1
InChIInChI=1S/C14H10N2O3S2/c17-13(11-2-1-5-20-11)16-14-15-8-6-9-10(7-12(8)21-14)19-4-3-18-9/h1-2,5-7H,3-4H2,(H,15,16,17)
InChIKeyIHBTZJQOEVLKSC-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.38
Rot. Bonds2

About N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)thiophene-2-carboxamide

N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)thiophene-2-carboxamide (PubChem CID 7202770) has the molecular formula C14H10N2O3S2 and a molecular weight of 318.38 g/mol. Its IUPAC name is N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)thiophene-2-carboxamide
PubChem CID7202770
Molecular FormulaC14H10N2O3S2
Molecular Weight318.38 g/mol
Exact Mass318.01
IUPAC NameN-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)thiophene-2-carboxamide
SMILESO=C(Nc1nc2cc3c(cc2s1)OCCO3)c1cccs1
InChIInChI=1S/C14H10N2O3S2/c17-13(11-2-1-5-20-11)16-14-15-8-6-9-10(7-12(8)21-14)19-4-3-18-9/h1-2,5-7H,3-4H2,(H,15,16,17)
InChIKeyIHBTZJQOEVLKSC-UHFFFAOYSA-N
XLogP3.38
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)thiophene-2-carboxamide 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 N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)thiophene-2-carboxamide?
The IUPAC name of N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)thiophene-2-carboxamide (CID 7202770) is N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)thiophene-2-carboxamide is O=C(Nc1nc2cc3c(cc2s1)OCCO3)c1cccs1.
What is the InChIKey of N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)thiophene-2-carboxamide?
The InChIKey is IHBTZJQOEVLKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3S2/c17-13(11-2-1-5-20-11)16-14-15-8-6-9-10(7-12(8)21-14)19-4-3-18-9/h1-2,5-7H,3-4H2,(H,15,16,17).
What are the key properties of N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)thiophene-2-carboxamide?
N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)thiophene-2-carboxamide has a molecular weight of 318.38 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 7202770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).