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

C15H16N2O3S2 — CID 17467604

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
SMILESCc1csc(SCCC(=O)Nc2ccc3c(c2)OCCO3)n1
InChIInChI=1S/C15H16N2O3S2/c1-10-9-22-15(16-10)21-7-4-14(18)17-11-2-3-12-13(8-11)20-6-5-19-12/h2-3,8-9H,4-7H2,1H3,(H,17,18)
InChIKeySJJMNOSHFVNECX-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.34
Rot. Bonds5

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

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide (PubChem CID 17467604) has the molecular formula C15H16N2O3S2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
PubChem CID17467604
Molecular FormulaC15H16N2O3S2
Molecular Weight336.44 g/mol
Exact Mass336.06
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
SMILESCc1csc(SCCC(=O)Nc2ccc3c(c2)OCCO3)n1
InChIInChI=1S/C15H16N2O3S2/c1-10-9-22-15(16-10)21-7-4-14(18)17-11-2-3-12-13(8-11)20-6-5-19-12/h2-3,8-9H,4-7H2,1H3,(H,17,18)
InChIKeySJJMNOSHFVNECX-UHFFFAOYSA-N
XLogP3.34
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-1,3-thiazole-2-carboxamide
CID 110696238
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]butanamide
CID 108800716
3-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 23775094
N,N'-bis(2,3-dihydro-1,4-benzodioxin-6-yl)hexanediamide
CID 2930949
3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanehydrazide
CID 63582849
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxobutanamide
CID 2885675
3-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 23889387
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]propanamide
CID 23832958
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 3395682
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-methyl-1,3-oxazol-4-yl)propanamide
CID 110679338
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methyl-1,3-thiazol-2-yl)-4-oxobutanamide
CID 51158632
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]acetamide
CID 110386812

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide (CID 17467604) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide is Cc1csc(SCCC(=O)Nc2ccc3c(c2)OCCO3)n1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide?
The InChIKey is SJJMNOSHFVNECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S2/c1-10-9-22-15(16-10)21-7-4-14(18)17-11-2-3-12-13(8-11)20-6-5-19-12/h2-3,8-9H,4-7H2,1H3,(H,17,18).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide has a molecular weight of 336.44 g/mol, XLogP of 3.34, 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)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide is sourced from PubChem (CID 17467604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).