N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide

C20H19N3O5S — CID 16955115

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(Nc2nc(C(=O)Nc3ccc4c(c3)OCCO4)cs2)c(OC)c1
InChIInChI=1S/C20H19N3O5S/c1-25-13-4-5-14(17(10-13)26-2)22-20-23-15(11-29-20)19(24)21-12-3-6-16-18(9-12)28-8-7-27-16/h3-6,9-11H,7-8H2,1-2H3,(H,21,24)(H,22,23)
InChIKeySNTZZWFUNGJBKQ-UHFFFAOYSA-N
MW413.46 g/mol
LogP3.93
Rot. Bonds6

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide (PubChem CID 16955115) has the molecular formula C20H19N3O5S and a molecular weight of 413.46 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide
PubChem CID16955115
Molecular FormulaC20H19N3O5S
Molecular Weight413.46 g/mol
Exact Mass413.10
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(Nc2nc(C(=O)Nc3ccc4c(c3)OCCO4)cs2)c(OC)c1
InChIInChI=1S/C20H19N3O5S/c1-25-13-4-5-14(17(10-13)26-2)22-20-23-15(11-29-20)19(24)21-12-3-6-16-18(9-12)28-8-7-27-16/h3-6,9-11H,7-8H2,1-2H3,(H,21,24)(H,22,23)
InChIKeySNTZZWFUNGJBKQ-UHFFFAOYSA-N
XLogP3.93
TPSA90.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.46
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide (CID 16955115) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide is COc1ccc(Nc2nc(C(=O)Nc3ccc4c(c3)OCCO4)cs2)c(OC)c1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide?
The InChIKey is SNTZZWFUNGJBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O5S/c1-25-13-4-5-14(17(10-13)26-2)22-20-23-15(11-29-20)19(24)21-12-3-6-16-18(9-12)28-8-7-27-16/h3-6,9-11H,7-8H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide has a molecular weight of 413.46 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 16955115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).