N-[[2-(furan-2-yl)-1,3-thiazol-5-yl]methyl]-1-(oxolan-2-yl)-1-phenylmethanamine

C19H20N2O2S — CID 122139504

IUPACN-[[2-(furan-2-yl)-1,3-thiazol-5-yl]methyl]-1-(oxolan-2-yl)-1-phenylmethanamine
SMILESc1ccc(C(NCc2cnc(-c3ccco3)s2)C2CCCO2)cc1
InChIInChI=1S/C19H20N2O2S/c1-2-6-14(7-3-1)18(16-8-4-10-22-16)20-12-15-13-21-19(24-15)17-9-5-11-23-17/h1-3,5-7,9,11,13,16,18,20H,4,8,10,12H2
InChIKeyDIKRGGLHOCNTEH-UHFFFAOYSA-N
MW340.45 g/mol
LogP4.41
Rot. Bonds6

About N-[[2-(furan-2-yl)-1,3-thiazol-5-yl]methyl]-1-(oxolan-2-yl)-1-phenylmethanamine

N-[[2-(furan-2-yl)-1,3-thiazol-5-yl]methyl]-1-(oxolan-2-yl)-1-phenylmethanamine (PubChem CID 122139504) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-[[2-(furan-2-yl)-1,3-thiazol-5-yl]methyl]-1-(oxolan-2-yl)-1-phenylmethanamine.

Molecular Properties

Compound NameN-[[2-(furan-2-yl)-1,3-thiazol-5-yl]methyl]-1-(oxolan-2-yl)-1-phenylmethanamine
PubChem CID122139504
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC NameN-[[2-(furan-2-yl)-1,3-thiazol-5-yl]methyl]-1-(oxolan-2-yl)-1-phenylmethanamine
SMILESc1ccc(C(NCc2cnc(-c3ccco3)s2)C2CCCO2)cc1
InChIInChI=1S/C19H20N2O2S/c1-2-6-14(7-3-1)18(16-8-4-10-22-16)20-12-15-13-21-19(24-15)17-9-5-11-23-17/h1-3,5-7,9,11,13,16,18,20H,4,8,10,12H2
InChIKeyDIKRGGLHOCNTEH-UHFFFAOYSA-N
XLogP4.41
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(furan-2-yl)-1,3-thiazol-5-yl]methyl]-1-(oxolan-2-yl)-1-phenylmethanamine?
The IUPAC name of N-[[2-(furan-2-yl)-1,3-thiazol-5-yl]methyl]-1-(oxolan-2-yl)-1-phenylmethanamine (CID 122139504) is N-[[2-(furan-2-yl)-1,3-thiazol-5-yl]methyl]-1-(oxolan-2-yl)-1-phenylmethanamine.
What is the SMILES notation for N-[[2-(furan-2-yl)-1,3-thiazol-5-yl]methyl]-1-(oxolan-2-yl)-1-phenylmethanamine?
The canonical SMILES for N-[[2-(furan-2-yl)-1,3-thiazol-5-yl]methyl]-1-(oxolan-2-yl)-1-phenylmethanamine is c1ccc(C(NCc2cnc(-c3ccco3)s2)C2CCCO2)cc1.
What is the InChIKey of N-[[2-(furan-2-yl)-1,3-thiazol-5-yl]methyl]-1-(oxolan-2-yl)-1-phenylmethanamine?
The InChIKey is DIKRGGLHOCNTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-2-6-14(7-3-1)18(16-8-4-10-22-16)20-12-15-13-21-19(24-15)17-9-5-11-23-17/h1-3,5-7,9,11,13,16,18,20H,4,8,10,12H2.
What are the key properties of N-[[2-(furan-2-yl)-1,3-thiazol-5-yl]methyl]-1-(oxolan-2-yl)-1-phenylmethanamine?
N-[[2-(furan-2-yl)-1,3-thiazol-5-yl]methyl]-1-(oxolan-2-yl)-1-phenylmethanamine has a molecular weight of 340.45 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(furan-2-yl)-1,3-thiazol-5-yl]methyl]-1-(oxolan-2-yl)-1-phenylmethanamine is sourced from PubChem (CID 122139504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).