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

C19H16N2O4S — CID 134041080

IUPACN-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(Nc1nc2cc3c(cc2s1)OCCO3)C1COc2ccccc2C1
InChIInChI=1S/C19H16N2O4S/c22-18(12-7-11-3-1-2-4-14(11)25-10-12)21-19-20-13-8-15-16(9-17(13)26-19)24-6-5-23-15/h1-4,8-9,12H,5-7,10H2,(H,20,21,22)
InChIKeyHQKQJLUTMBSHSB-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.26
Rot. Bonds2

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

N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 134041080) has the molecular formula C19H16N2O4S and a molecular weight of 368.41 g/mol. Its IUPAC name is N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID134041080
Molecular FormulaC19H16N2O4S
Molecular Weight368.41 g/mol
Exact Mass368.08
IUPAC NameN-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(Nc1nc2cc3c(cc2s1)OCCO3)C1COc2ccccc2C1
InChIInChI=1S/C19H16N2O4S/c22-18(12-7-11-3-1-2-4-14(11)25-10-12)21-19-20-13-8-15-16(9-17(13)26-19)24-6-5-23-15/h1-4,8-9,12H,5-7,10H2,(H,20,21,22)
InChIKeyHQKQJLUTMBSHSB-UHFFFAOYSA-N
XLogP3.26
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.26
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)-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide (CID 134041080) is N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide is O=C(Nc1nc2cc3c(cc2s1)OCCO3)C1COc2ccccc2C1.
What is the InChIKey of N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is HQKQJLUTMBSHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4S/c22-18(12-7-11-3-1-2-4-14(11)25-10-12)21-19-20-13-8-15-16(9-17(13)26-19)24-6-5-23-15/h1-4,8-9,12H,5-7,10H2,(H,20,21,22).
What are the key properties of N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide?
N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 368.41 g/mol, XLogP of 3.26, 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)-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 134041080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).