(3R)-N-(1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

C12H10N2O3S — CID 724360

IUPAC(3R)-N-(1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESO=C(Nc1nccs1)[C@H]1COc2ccccc2O1
InChIInChI=1S/C12H10N2O3S/c15-11(14-12-13-5-6-18-12)10-7-16-8-3-1-2-4-9(8)17-10/h1-6,10H,7H2,(H,13,14,15)/t10-/m1/s1
InChIKeyKBUJVICLRDBOIE-SNVBAGLBSA-N
MW262.29 g/mol
LogP1.92
Rot. Bonds2

About (3R)-N-(1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

(3R)-N-(1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (PubChem CID 724360) has the molecular formula C12H10N2O3S and a molecular weight of 262.29 g/mol. Its IUPAC name is (3R)-N-(1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
PubChem CID724360
Molecular FormulaC12H10N2O3S
Molecular Weight262.29 g/mol
Exact Mass262.04
IUPAC Name(3R)-N-(1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESO=C(Nc1nccs1)[C@H]1COc2ccccc2O1
InChIInChI=1S/C12H10N2O3S/c15-11(14-12-13-5-6-18-12)10-7-16-8-3-1-2-4-9(8)17-10/h1-6,10H,7H2,(H,13,14,15)/t10-/m1/s1
InChIKeyKBUJVICLRDBOIE-SNVBAGLBSA-N
XLogP1.92
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-(1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The IUPAC name of (3R)-N-(1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CID 724360) is (3R)-N-(1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
What is the SMILES notation for (3R)-N-(1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The canonical SMILES for (3R)-N-(1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is O=C(Nc1nccs1)[C@H]1COc2ccccc2O1.
What is the InChIKey of (3R)-N-(1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The InChIKey is KBUJVICLRDBOIE-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H10N2O3S/c15-11(14-12-13-5-6-18-12)10-7-16-8-3-1-2-4-9(8)17-10/h1-6,10H,7H2,(H,13,14,15)/t10-/m1/s1.
What are the key properties of (3R)-N-(1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
(3R)-N-(1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide has a molecular weight of 262.29 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is sourced from PubChem (CID 724360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).