3-(3-aminopropyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,3-thiazol-2-one

C15H18N2O3S — CID 92936520

IUPAC3-(3-aminopropyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,3-thiazol-2-one
SMILESCc1sc(=O)n(CCCN)c1-c1ccc2c(c1)OCCO2
InChIInChI=1S/C15H18N2O3S/c1-10-14(17(6-2-5-16)15(18)21-10)11-3-4-12-13(9-11)20-8-7-19-12/h3-4,9H,2,5-8,16H2,1H3
InChIKeyKSZUTHOZWJOQQI-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.01
Rot. Bonds4

About 3-(3-aminopropyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,3-thiazol-2-one

3-(3-aminopropyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,3-thiazol-2-one (PubChem CID 92936520) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 3-(3-aminopropyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-(3-aminopropyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,3-thiazol-2-one
PubChem CID92936520
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name3-(3-aminopropyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,3-thiazol-2-one
SMILESCc1sc(=O)n(CCCN)c1-c1ccc2c(c1)OCCO2
InChIInChI=1S/C15H18N2O3S/c1-10-14(17(6-2-5-16)15(18)21-10)11-3-4-12-13(9-11)20-8-7-19-12/h3-4,9H,2,5-8,16H2,1H3
InChIKeyKSZUTHOZWJOQQI-UHFFFAOYSA-N
XLogP2.01
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-aminopropyl)-4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-one
CID 82027895
4-[4-(4-chlorophenyl)-5-methyl-2-oxo-1,3-thiazol-3-yl]butanoic acid
CID 43286990
[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]methanamine
CID 28808405
[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrrol-2-yl]methanamine
CID 117001487
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39199065
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 136578810
[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]methanamine;hydrochloride
CID 172650755
2-[4-bromo-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazol-3-yl]ethanamine
CID 84611451
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82035422
2-[4-(1,3-benzodioxol-5-yl)-5-ethyl-2-oxo-1,3-thiazol-3-yl]acetic acid
CID 82027984
2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[4,5-b]pyridin-3-yl]ethanamine
CID 102443349
[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-fluorophenyl]methanamine;hydrochloride
CID 172650769

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopropyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,3-thiazol-2-one?
The IUPAC name of 3-(3-aminopropyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,3-thiazol-2-one (CID 92936520) is 3-(3-aminopropyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,3-thiazol-2-one.
What is the SMILES notation for 3-(3-aminopropyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,3-thiazol-2-one?
The canonical SMILES for 3-(3-aminopropyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,3-thiazol-2-one is Cc1sc(=O)n(CCCN)c1-c1ccc2c(c1)OCCO2.
What is the InChIKey of 3-(3-aminopropyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,3-thiazol-2-one?
The InChIKey is KSZUTHOZWJOQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-10-14(17(6-2-5-16)15(18)21-10)11-3-4-12-13(9-11)20-8-7-19-12/h3-4,9H,2,5-8,16H2,1H3.
What are the key properties of 3-(3-aminopropyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,3-thiazol-2-one?
3-(3-aminopropyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,3-thiazol-2-one has a molecular weight of 306.39 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopropyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,3-thiazol-2-one is sourced from PubChem (CID 92936520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).