2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[1-(1,3-thiazol-2-yl)propyl]cyclopropane-1-carboxamide

C18H20N2O3S — CID 71999347

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[1-(1,3-thiazol-2-yl)propyl]cyclopropane-1-carboxamide
SMILESCCC(NC(=O)C1CC1c1ccc2c(c1)OCCO2)c1nccs1
InChIInChI=1S/C18H20N2O3S/c1-2-14(18-19-5-8-24-18)20-17(21)13-10-12(13)11-3-4-15-16(9-11)23-7-6-22-15/h3-5,8-9,12-14H,2,6-7,10H2,1H3,(H,20,21)
InChIKeyCDNIETFWPNWIDG-UHFFFAOYSA-N
MW344.44 g/mol
LogP3.29
Rot. Bonds5

About 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[1-(1,3-thiazol-2-yl)propyl]cyclopropane-1-carboxamide

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[1-(1,3-thiazol-2-yl)propyl]cyclopropane-1-carboxamide (PubChem CID 71999347) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[1-(1,3-thiazol-2-yl)propyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[1-(1,3-thiazol-2-yl)propyl]cyclopropane-1-carboxamide
PubChem CID71999347
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[1-(1,3-thiazol-2-yl)propyl]cyclopropane-1-carboxamide
SMILESCCC(NC(=O)C1CC1c1ccc2c(c1)OCCO2)c1nccs1
InChIInChI=1S/C18H20N2O3S/c1-2-14(18-19-5-8-24-18)20-17(21)13-10-12(13)11-3-4-15-16(9-11)23-7-6-22-15/h3-5,8-9,12-14H,2,6-7,10H2,1H3,(H,20,21)
InChIKeyCDNIETFWPNWIDG-UHFFFAOYSA-N
XLogP3.29
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[1-(1,3-thiazol-2-yl)propyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[1-(1,3-thiazol-2-yl)propyl]cyclopropane-1-carboxamide (CID 71999347) is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[1-(1,3-thiazol-2-yl)propyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[1-(1,3-thiazol-2-yl)propyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[1-(1,3-thiazol-2-yl)propyl]cyclopropane-1-carboxamide is CCC(NC(=O)C1CC1c1ccc2c(c1)OCCO2)c1nccs1.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[1-(1,3-thiazol-2-yl)propyl]cyclopropane-1-carboxamide?
The InChIKey is CDNIETFWPNWIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-2-14(18-19-5-8-24-18)20-17(21)13-10-12(13)11-3-4-15-16(9-11)23-7-6-22-15/h3-5,8-9,12-14H,2,6-7,10H2,1H3,(H,20,21).
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[1-(1,3-thiazol-2-yl)propyl]cyclopropane-1-carboxamide?
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[1-(1,3-thiazol-2-yl)propyl]cyclopropane-1-carboxamide has a molecular weight of 344.44 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[1-(1,3-thiazol-2-yl)propyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 71999347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).