1-cyclopropyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[2-(oxolan-2-yl)-1,3-thiazol-5-yl]methyl]methanamine

C20H24N2O3S — CID 71909461

IUPAC1-cyclopropyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[2-(oxolan-2-yl)-1,3-thiazol-5-yl]methyl]methanamine
SMILESc1cc2c(cc1C(NCc1cnc(C3CCCO3)s1)C1CC1)OCCO2
InChIInChI=1S/C20H24N2O3S/c1-2-17(23-7-1)20-22-12-15(26-20)11-21-19(13-3-4-13)14-5-6-16-18(10-14)25-9-8-24-16/h5-6,10,12-13,17,19,21H,1-4,7-9,11H2
InChIKeyQNYAUIHIQVATKF-UHFFFAOYSA-N
MW372.49 g/mol
LogP4.01
Rot. Bonds6

About 1-cyclopropyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[2-(oxolan-2-yl)-1,3-thiazol-5-yl]methyl]methanamine

1-cyclopropyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[2-(oxolan-2-yl)-1,3-thiazol-5-yl]methyl]methanamine (PubChem CID 71909461) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is 1-cyclopropyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[2-(oxolan-2-yl)-1,3-thiazol-5-yl]methyl]methanamine.

Molecular Properties

Compound Name1-cyclopropyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[2-(oxolan-2-yl)-1,3-thiazol-5-yl]methyl]methanamine
PubChem CID71909461
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name1-cyclopropyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[2-(oxolan-2-yl)-1,3-thiazol-5-yl]methyl]methanamine
SMILESc1cc2c(cc1C(NCc1cnc(C3CCCO3)s1)C1CC1)OCCO2
InChIInChI=1S/C20H24N2O3S/c1-2-17(23-7-1)20-22-12-15(26-20)11-21-19(13-3-4-13)14-5-6-16-18(10-14)25-9-8-24-16/h5-6,10,12-13,17,19,21H,1-4,7-9,11H2
InChIKeyQNYAUIHIQVATKF-UHFFFAOYSA-N
XLogP4.01
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[2-(oxolan-2-yl)-1,3-thiazol-5-yl]methyl]methanamine?
The IUPAC name of 1-cyclopropyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[2-(oxolan-2-yl)-1,3-thiazol-5-yl]methyl]methanamine (CID 71909461) is 1-cyclopropyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[2-(oxolan-2-yl)-1,3-thiazol-5-yl]methyl]methanamine.
What is the SMILES notation for 1-cyclopropyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[2-(oxolan-2-yl)-1,3-thiazol-5-yl]methyl]methanamine?
The canonical SMILES for 1-cyclopropyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[2-(oxolan-2-yl)-1,3-thiazol-5-yl]methyl]methanamine is c1cc2c(cc1C(NCc1cnc(C3CCCO3)s1)C1CC1)OCCO2.
What is the InChIKey of 1-cyclopropyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[2-(oxolan-2-yl)-1,3-thiazol-5-yl]methyl]methanamine?
The InChIKey is QNYAUIHIQVATKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-2-17(23-7-1)20-22-12-15(26-20)11-21-19(13-3-4-13)14-5-6-16-18(10-14)25-9-8-24-16/h5-6,10,12-13,17,19,21H,1-4,7-9,11H2.
What are the key properties of 1-cyclopropyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[2-(oxolan-2-yl)-1,3-thiazol-5-yl]methyl]methanamine?
1-cyclopropyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[2-(oxolan-2-yl)-1,3-thiazol-5-yl]methyl]methanamine has a molecular weight of 372.49 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[2-(oxolan-2-yl)-1,3-thiazol-5-yl]methyl]methanamine is sourced from PubChem (CID 71909461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).