[4-(furan-2-yl)-2-(2-methoxyethylamino)-1,3-thiazol-5-yl]-phenylmethanone

C17H16N2O3S — CID 44581366

IUPAC[4-(furan-2-yl)-2-(2-methoxyethylamino)-1,3-thiazol-5-yl]-phenylmethanone
SMILESCOCCNc1nc(-c2ccco2)c(C(=O)c2ccccc2)s1
InChIInChI=1S/C17H16N2O3S/c1-21-11-9-18-17-19-14(13-8-5-10-22-13)16(23-17)15(20)12-6-3-2-4-7-12/h2-8,10H,9,11H2,1H3,(H,18,19)
InChIKeyKWZVOZYJVSTZBL-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.69
Rot. Bonds7

About [4-(furan-2-yl)-2-(2-methoxyethylamino)-1,3-thiazol-5-yl]-phenylmethanone

[4-(furan-2-yl)-2-(2-methoxyethylamino)-1,3-thiazol-5-yl]-phenylmethanone (PubChem CID 44581366) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is [4-(furan-2-yl)-2-(2-methoxyethylamino)-1,3-thiazol-5-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-(furan-2-yl)-2-(2-methoxyethylamino)-1,3-thiazol-5-yl]-phenylmethanone
PubChem CID44581366
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC Name[4-(furan-2-yl)-2-(2-methoxyethylamino)-1,3-thiazol-5-yl]-phenylmethanone
SMILESCOCCNc1nc(-c2ccco2)c(C(=O)c2ccccc2)s1
InChIInChI=1S/C17H16N2O3S/c1-21-11-9-18-17-19-14(13-8-5-10-22-13)16(23-17)15(20)12-6-3-2-4-7-12/h2-8,10H,9,11H2,1H3,(H,18,19)
InChIKeyKWZVOZYJVSTZBL-UHFFFAOYSA-N
XLogP3.69
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(furan-2-yl)-2-(2-methoxyethylamino)-1,3-thiazol-5-yl]-phenylmethanone?
The IUPAC name of [4-(furan-2-yl)-2-(2-methoxyethylamino)-1,3-thiazol-5-yl]-phenylmethanone (CID 44581366) is [4-(furan-2-yl)-2-(2-methoxyethylamino)-1,3-thiazol-5-yl]-phenylmethanone.
What is the SMILES notation for [4-(furan-2-yl)-2-(2-methoxyethylamino)-1,3-thiazol-5-yl]-phenylmethanone?
The canonical SMILES for [4-(furan-2-yl)-2-(2-methoxyethylamino)-1,3-thiazol-5-yl]-phenylmethanone is COCCNc1nc(-c2ccco2)c(C(=O)c2ccccc2)s1.
What is the InChIKey of [4-(furan-2-yl)-2-(2-methoxyethylamino)-1,3-thiazol-5-yl]-phenylmethanone?
The InChIKey is KWZVOZYJVSTZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S/c1-21-11-9-18-17-19-14(13-8-5-10-22-13)16(23-17)15(20)12-6-3-2-4-7-12/h2-8,10H,9,11H2,1H3,(H,18,19).
What are the key properties of [4-(furan-2-yl)-2-(2-methoxyethylamino)-1,3-thiazol-5-yl]-phenylmethanone?
[4-(furan-2-yl)-2-(2-methoxyethylamino)-1,3-thiazol-5-yl]-phenylmethanone has a molecular weight of 328.39 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(furan-2-yl)-2-(2-methoxyethylamino)-1,3-thiazol-5-yl]-phenylmethanone is sourced from PubChem (CID 44581366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).