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

C15H12N2O3S2 — CID 2330609

IUPACN-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1nc2cc3c(cc2s1)OCCO3
InChIInChI=1S/C15H12N2O3S2/c1-8-2-5-21-13(8)14(18)17-15-16-9-6-10-11(7-12(9)22-15)20-4-3-19-10/h2,5-7H,3-4H2,1H3,(H,16,17,18)
InChIKeyLPOMAKXHCFYKQG-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.69
Rot. Bonds2

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

N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-3-methylthiophene-2-carboxamide (PubChem CID 2330609) has the molecular formula C15H12N2O3S2 and a molecular weight of 332.41 g/mol. Its IUPAC name is N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-3-methylthiophene-2-carboxamide
PubChem CID2330609
Molecular FormulaC15H12N2O3S2
Molecular Weight332.41 g/mol
Exact Mass332.03
IUPAC NameN-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1nc2cc3c(cc2s1)OCCO3
InChIInChI=1S/C15H12N2O3S2/c1-8-2-5-21-13(8)14(18)17-15-16-9-6-10-11(7-12(9)22-15)20-4-3-19-10/h2,5-7H,3-4H2,1H3,(H,16,17,18)
InChIKeyLPOMAKXHCFYKQG-UHFFFAOYSA-N
XLogP3.69
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-3-methylthiophene-2-carboxamide?
The IUPAC name of N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-3-methylthiophene-2-carboxamide (CID 2330609) is N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-3-methylthiophene-2-carboxamide is Cc1ccsc1C(=O)Nc1nc2cc3c(cc2s1)OCCO3.
What is the InChIKey of N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-3-methylthiophene-2-carboxamide?
The InChIKey is LPOMAKXHCFYKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3S2/c1-8-2-5-21-13(8)14(18)17-15-16-9-6-10-11(7-12(9)22-15)20-4-3-19-10/h2,5-7H,3-4H2,1H3,(H,16,17,18).
What are the key properties of N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-3-methylthiophene-2-carboxamide?
N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-3-methylthiophene-2-carboxamide has a molecular weight of 332.41 g/mol, XLogP of 3.69, 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)-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 2330609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).