3-cyclopentyl-4-(furan-2-yl)-N-(2-methoxyphenyl)-1,3-thiazol-2-imine

C19H20N2O2S — CID 23740254

IUPAC3-cyclopentyl-4-(furan-2-yl)-N-(2-methoxyphenyl)-1,3-thiazol-2-imine
SMILESCOc1ccccc1/N=c1\scc(-c2ccco2)n1C1CCCC1
InChIInChI=1S/C19H20N2O2S/c1-22-17-10-5-4-9-15(17)20-19-21(14-7-2-3-8-14)16(13-24-19)18-11-6-12-23-18/h4-6,9-14H,2-3,7-8H2,1H3/b20-19-
InChIKeyHDROQFJBYSTSIP-VXPUYCOJSA-N
MW340.45 g/mol
LogP5.17
Rot. Bonds4

About 3-cyclopentyl-4-(furan-2-yl)-N-(2-methoxyphenyl)-1,3-thiazol-2-imine

3-cyclopentyl-4-(furan-2-yl)-N-(2-methoxyphenyl)-1,3-thiazol-2-imine (PubChem CID 23740254) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is 3-cyclopentyl-4-(furan-2-yl)-N-(2-methoxyphenyl)-1,3-thiazol-2-imine.

Molecular Properties

Compound Name3-cyclopentyl-4-(furan-2-yl)-N-(2-methoxyphenyl)-1,3-thiazol-2-imine
PubChem CID23740254
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Name3-cyclopentyl-4-(furan-2-yl)-N-(2-methoxyphenyl)-1,3-thiazol-2-imine
SMILESCOc1ccccc1/N=c1\scc(-c2ccco2)n1C1CCCC1
InChIInChI=1S/C19H20N2O2S/c1-22-17-10-5-4-9-15(17)20-19-21(14-7-2-3-8-14)16(13-24-19)18-11-6-12-23-18/h4-6,9-14H,2-3,7-8H2,1H3/b20-19-
InChIKeyHDROQFJBYSTSIP-VXPUYCOJSA-N
XLogP5.17
TPSA39.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.45
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-4-(furan-2-yl)-N-(2-methoxyphenyl)-1,3-thiazol-2-imine?
The IUPAC name of 3-cyclopentyl-4-(furan-2-yl)-N-(2-methoxyphenyl)-1,3-thiazol-2-imine (CID 23740254) is 3-cyclopentyl-4-(furan-2-yl)-N-(2-methoxyphenyl)-1,3-thiazol-2-imine.
What is the SMILES notation for 3-cyclopentyl-4-(furan-2-yl)-N-(2-methoxyphenyl)-1,3-thiazol-2-imine?
The canonical SMILES for 3-cyclopentyl-4-(furan-2-yl)-N-(2-methoxyphenyl)-1,3-thiazol-2-imine is COc1ccccc1/N=c1\scc(-c2ccco2)n1C1CCCC1.
What is the InChIKey of 3-cyclopentyl-4-(furan-2-yl)-N-(2-methoxyphenyl)-1,3-thiazol-2-imine?
The InChIKey is HDROQFJBYSTSIP-VXPUYCOJSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-22-17-10-5-4-9-15(17)20-19-21(14-7-2-3-8-14)16(13-24-19)18-11-6-12-23-18/h4-6,9-14H,2-3,7-8H2,1H3/b20-19-.
What are the key properties of 3-cyclopentyl-4-(furan-2-yl)-N-(2-methoxyphenyl)-1,3-thiazol-2-imine?
3-cyclopentyl-4-(furan-2-yl)-N-(2-methoxyphenyl)-1,3-thiazol-2-imine has a molecular weight of 340.45 g/mol, XLogP of 5.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-4-(furan-2-yl)-N-(2-methoxyphenyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 23740254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).