5-cyclopropyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine

C16H20N2O2S — CID 63296559

IUPAC5-cyclopropyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESc1cc2c(cc1CCNC1=NCC(C3CC3)S1)OCCO2
InChIInChI=1S/C16H20N2O2S/c1-4-13-14(20-8-7-19-13)9-11(1)5-6-17-16-18-10-15(21-16)12-2-3-12/h1,4,9,12,15H,2-3,5-8,10H2,(H,17,18)
InChIKeyGLZMAPASCUHTCQ-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.47
Rot. Bonds4

About 5-cyclopropyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine

5-cyclopropyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 63296559) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 5-cyclopropyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-cyclopropyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID63296559
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name5-cyclopropyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESc1cc2c(cc1CCNC1=NCC(C3CC3)S1)OCCO2
InChIInChI=1S/C16H20N2O2S/c1-4-13-14(20-8-7-19-13)9-11(1)5-6-17-16-18-10-15(21-16)12-2-3-12/h1,4,9,12,15H,2-3,5-8,10H2,(H,17,18)
InChIKeyGLZMAPASCUHTCQ-UHFFFAOYSA-N
XLogP2.47
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-ethyl-1,3-thiazol-2-amine
CID 62962812
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]thiolan-3-amine
CID 43178288
6-(2-fluoroethyl)-2,3-dihydro-1,4-benzodioxine
CID 175038395
N'-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]methanediamine
CID 115226007
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-pyridin-4-ylethanamine
CID 60647897
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-6-methylpyridin-2-amine
CID 60876054
1-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-iodobenzene-1,2-diamine
CID 66066056
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65271372
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-propyl-1,2,4-thiadiazol-5-amine
CID 65271428
3,6-dichloro-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1,2,4-triazin-5-amine
CID 81037315
3-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyridine-2,3-diamine
CID 104539752
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(2-methylphenyl)ethanamine
CID 43824553

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-cyclopropyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine (CID 63296559) is 5-cyclopropyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 5-cyclopropyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-cyclopropyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine is c1cc2c(cc1CCNC1=NCC(C3CC3)S1)OCCO2.
What is the InChIKey of 5-cyclopropyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is GLZMAPASCUHTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-4-13-14(20-8-7-19-13)9-11(1)5-6-17-16-18-10-15(21-16)12-2-3-12/h1,4,9,12,15H,2-3,5-8,10H2,(H,17,18).
What are the key properties of 5-cyclopropyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
5-cyclopropyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 304.42 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 63296559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).