1-cyclopropyl-N-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]-1-(5-methyl-1,3-thiazol-2-yl)methanamine

C20H21FN2OS — CID 75422583

IUPAC1-cyclopropyl-N-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]-1-(5-methyl-1,3-thiazol-2-yl)methanamine
SMILESCc1cnc(C(NCc2ccc(-c3ccc(F)cc3C)o2)C2CC2)s1
InChIInChI=1S/C20H21FN2OS/c1-12-9-15(21)5-7-17(12)18-8-6-16(24-18)11-22-19(14-3-4-14)20-23-10-13(2)25-20/h5-10,14,19,22H,3-4,11H2,1-2H3
InChIKeyORIMVUTWWMXYLA-UHFFFAOYSA-N
MW356.47 g/mol
LogP5.40
Rot. Bonds6

About 1-cyclopropyl-N-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]-1-(5-methyl-1,3-thiazol-2-yl)methanamine

1-cyclopropyl-N-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]-1-(5-methyl-1,3-thiazol-2-yl)methanamine (PubChem CID 75422583) has the molecular formula C20H21FN2OS and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-cyclopropyl-N-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]-1-(5-methyl-1,3-thiazol-2-yl)methanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]-1-(5-methyl-1,3-thiazol-2-yl)methanamine
PubChem CID75422583
Molecular FormulaC20H21FN2OS
Molecular Weight356.47 g/mol
Exact Mass356.14
IUPAC Name1-cyclopropyl-N-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]-1-(5-methyl-1,3-thiazol-2-yl)methanamine
SMILESCc1cnc(C(NCc2ccc(-c3ccc(F)cc3C)o2)C2CC2)s1
InChIInChI=1S/C20H21FN2OS/c1-12-9-15(21)5-7-17(12)18-8-6-16(24-18)11-22-19(14-3-4-14)20-23-10-13(2)25-20/h5-10,14,19,22H,3-4,11H2,1-2H3
InChIKeyORIMVUTWWMXYLA-UHFFFAOYSA-N
XLogP5.40
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.47
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]-1-(5-methyl-1,3-thiazol-2-yl)methanamine?
The IUPAC name of 1-cyclopropyl-N-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]-1-(5-methyl-1,3-thiazol-2-yl)methanamine (CID 75422583) is 1-cyclopropyl-N-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]-1-(5-methyl-1,3-thiazol-2-yl)methanamine.
What is the SMILES notation for 1-cyclopropyl-N-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]-1-(5-methyl-1,3-thiazol-2-yl)methanamine?
The canonical SMILES for 1-cyclopropyl-N-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]-1-(5-methyl-1,3-thiazol-2-yl)methanamine is Cc1cnc(C(NCc2ccc(-c3ccc(F)cc3C)o2)C2CC2)s1.
What is the InChIKey of 1-cyclopropyl-N-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]-1-(5-methyl-1,3-thiazol-2-yl)methanamine?
The InChIKey is ORIMVUTWWMXYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2OS/c1-12-9-15(21)5-7-17(12)18-8-6-16(24-18)11-22-19(14-3-4-14)20-23-10-13(2)25-20/h5-10,14,19,22H,3-4,11H2,1-2H3.
What are the key properties of 1-cyclopropyl-N-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]-1-(5-methyl-1,3-thiazol-2-yl)methanamine?
1-cyclopropyl-N-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]-1-(5-methyl-1,3-thiazol-2-yl)methanamine has a molecular weight of 356.47 g/mol, XLogP of 5.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]-1-(5-methyl-1,3-thiazol-2-yl)methanamine is sourced from PubChem (CID 75422583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).