N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]acetamide

C16H19N3O3S — CID 110386812

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]acetamide
SMILESCN(C)Cc1nc(CC(=O)Nc2ccc3c(c2)OCCO3)cs1
InChIInChI=1S/C16H19N3O3S/c1-19(2)9-16-18-12(10-23-16)8-15(20)17-11-3-4-13-14(7-11)22-6-5-21-13/h3-4,7,10H,5-6,8-9H2,1-2H3,(H,17,20)
InChIKeyIYGZQTGNZUZWNK-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.16
Rot. Bonds5

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]acetamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]acetamide (PubChem CID 110386812) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]acetamide
PubChem CID110386812
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]acetamide
SMILESCN(C)Cc1nc(CC(=O)Nc2ccc3c(c2)OCCO3)cs1
InChIInChI=1S/C16H19N3O3S/c1-19(2)9-16-18-12(10-23-16)8-15(20)17-11-3-4-13-14(7-11)22-6-5-21-13/h3-4,7,10H,5-6,8-9H2,1-2H3,(H,17,20)
InChIKeyIYGZQTGNZUZWNK-UHFFFAOYSA-N
XLogP2.16
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-N-(4-fluorophenyl)acetamide
CID 110386782
N-(3-chloro-4-fluorophenyl)-2-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]acetamide
CID 110386789
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 33141890
2-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110386803
2-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 110386804
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]acetamide
CID 86855926
N-(1,3-benzodioxol-5-yl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 8776935
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide
CID 87033761
2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide
CID 16563397
2-[9-[2-oxo-2-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-ylamino)ethyl]-1,10-phenanthrolin-2-yl]-N-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)acetamide
CID 101239328
N-(1,3-benzodioxol-5-yl)-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 7944782
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide
CID 45492808

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]acetamide (CID 110386812) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]acetamide is CN(C)Cc1nc(CC(=O)Nc2ccc3c(c2)OCCO3)cs1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]acetamide?
The InChIKey is IYGZQTGNZUZWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-19(2)9-16-18-12(10-23-16)8-15(20)17-11-3-4-13-14(7-11)22-6-5-21-13/h3-4,7,10H,5-6,8-9H2,1-2H3,(H,17,20).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]acetamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]acetamide has a molecular weight of 333.41 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 110386812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).