5-(furan-2-yl)-N-propan-2-yl-N-propyl-3,4-dihydro-2H-thiochromen-3-amine;hydrochloride

C19H26ClNOS — CID 19028204

IUPAC5-(furan-2-yl)-N-propan-2-yl-N-propyl-3,4-dihydro-2H-thiochromen-3-amine;hydrochloride
SMILESCCCN(C(C)C)C1CSc2cccc(-c3ccco3)c2C1.Cl
InChIInChI=1S/C19H25NOS.ClH/c1-4-10-20(14(2)3)15-12-17-16(18-8-6-11-21-18)7-5-9-19(17)22-13-15;/h5-9,11,14-15H,4,10,12-13H2,1-3H3;1H
InChIKeyKEYIMELQXRJGHU-UHFFFAOYSA-N
MW351.94 g/mol
LogP5.51
Rot. Bonds5

About 5-(furan-2-yl)-N-propan-2-yl-N-propyl-3,4-dihydro-2H-thiochromen-3-amine;hydrochloride

5-(furan-2-yl)-N-propan-2-yl-N-propyl-3,4-dihydro-2H-thiochromen-3-amine;hydrochloride (PubChem CID 19028204) has the molecular formula C19H26ClNOS and a molecular weight of 351.94 g/mol. Its IUPAC name is 5-(furan-2-yl)-N-propan-2-yl-N-propyl-3,4-dihydro-2H-thiochromen-3-amine;hydrochloride.

Molecular Properties

Compound Name5-(furan-2-yl)-N-propan-2-yl-N-propyl-3,4-dihydro-2H-thiochromen-3-amine;hydrochloride
PubChem CID19028204
Molecular FormulaC19H26ClNOS
Molecular Weight351.94 g/mol
Exact Mass351.14
IUPAC Name5-(furan-2-yl)-N-propan-2-yl-N-propyl-3,4-dihydro-2H-thiochromen-3-amine;hydrochloride
SMILESCCCN(C(C)C)C1CSc2cccc(-c3ccco3)c2C1.Cl
InChIInChI=1S/C19H25NOS.ClH/c1-4-10-20(14(2)3)15-12-17-16(18-8-6-11-21-18)7-5-9-19(17)22-13-15;/h5-9,11,14-15H,4,10,12-13H2,1-3H3;1H
InChIKeyKEYIMELQXRJGHU-UHFFFAOYSA-N
XLogP5.51
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.94
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(furan-2-yl)-N-propan-2-yl-N-propyl-3,4-dihydro-2H-thiochromen-3-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-N-propan-2-yl-N-propyl-3,4-dihydro-2H-thiochromen-3-amine;hydrochloride?
The IUPAC name of 5-(furan-2-yl)-N-propan-2-yl-N-propyl-3,4-dihydro-2H-thiochromen-3-amine;hydrochloride (CID 19028204) is 5-(furan-2-yl)-N-propan-2-yl-N-propyl-3,4-dihydro-2H-thiochromen-3-amine;hydrochloride.
What is the SMILES notation for 5-(furan-2-yl)-N-propan-2-yl-N-propyl-3,4-dihydro-2H-thiochromen-3-amine;hydrochloride?
The canonical SMILES for 5-(furan-2-yl)-N-propan-2-yl-N-propyl-3,4-dihydro-2H-thiochromen-3-amine;hydrochloride is CCCN(C(C)C)C1CSc2cccc(-c3ccco3)c2C1.Cl.
What is the InChIKey of 5-(furan-2-yl)-N-propan-2-yl-N-propyl-3,4-dihydro-2H-thiochromen-3-amine;hydrochloride?
The InChIKey is KEYIMELQXRJGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NOS.ClH/c1-4-10-20(14(2)3)15-12-17-16(18-8-6-11-21-18)7-5-9-19(17)22-13-15;/h5-9,11,14-15H,4,10,12-13H2,1-3H3;1H.
What are the key properties of 5-(furan-2-yl)-N-propan-2-yl-N-propyl-3,4-dihydro-2H-thiochromen-3-amine;hydrochloride?
5-(furan-2-yl)-N-propan-2-yl-N-propyl-3,4-dihydro-2H-thiochromen-3-amine;hydrochloride has a molecular weight of 351.94 g/mol, XLogP of 5.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-N-propan-2-yl-N-propyl-3,4-dihydro-2H-thiochromen-3-amine;hydrochloride is sourced from PubChem (CID 19028204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).