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

C20H21FN2OS — CID 97318453

IUPAC(1S)-1-cyclopropyl-N-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]-1-(5-methyl-1,3-thiazol-2-yl)methanamine
SMILESCc1cnc([C@@H](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/t19-/m0/s1
InChIKeyORIMVUTWWMXYLA-IBGZPJMESA-N
MW356.47 g/mol
LogP5.40
Rot. Bonds6

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

(1S)-1-cyclopropyl-N-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]-1-(5-methyl-1,3-thiazol-2-yl)methanamine (PubChem CID 97318453) has the molecular formula C20H21FN2OS and a molecular weight of 356.47 g/mol. Its IUPAC name is (1S)-1-cyclopropyl-N-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]-1-(5-methyl-1,3-thiazol-2-yl)methanamine.

Molecular Properties

Compound Name(1S)-1-cyclopropyl-N-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]-1-(5-methyl-1,3-thiazol-2-yl)methanamine
PubChem CID97318453
Molecular FormulaC20H21FN2OS
Molecular Weight356.47 g/mol
Exact Mass356.14
IUPAC Name(1S)-1-cyclopropyl-N-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]-1-(5-methyl-1,3-thiazol-2-yl)methanamine
SMILESCc1cnc([C@@H](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/t19-/m0/s1
InChIKeyORIMVUTWWMXYLA-IBGZPJMESA-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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Related Compounds

N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-(5-methylfuran-2-yl)ethanamine
CID 86779546
1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea
CID 91662108
N-[[2-(furan-2-yl)-1,3-thiazol-5-yl]methyl]-1-(oxolan-2-yl)-1-phenylmethanamine
CID 122139504
N-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1-(furan-2-yl)methanamine
CID 53272204
N-[[5-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1-(furan-2-yl)methanamine
CID 53272224
1-(4-fluorophenyl)-N-[[5-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]methyl]methanamine
CID 53272846
2-(4-fluorophenyl)-N-[[5-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 53272847
2-(2-fluorophenyl)-N-[[5-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 53272868
1-(2-fluorophenyl)-N-[[5-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]methyl]methanamine
CID 53272880
2-(3-fluorophenyl)-N-[[5-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 53272889
N-[[5-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
CID 53273428
2-(2-fluorophenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1,3-thiazole-5-carboxamide
CID 56082541

Frequently Asked Questions

What is the IUPAC name of (1S)-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 (1S)-1-cyclopropyl-N-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]-1-(5-methyl-1,3-thiazol-2-yl)methanamine (CID 97318453) is (1S)-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 (1S)-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 (1S)-1-cyclopropyl-N-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]-1-(5-methyl-1,3-thiazol-2-yl)methanamine is Cc1cnc([C@@H](NCc2ccc(-c3ccc(F)cc3C)o2)C2CC2)s1.
What is the InChIKey of (1S)-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-IBGZPJMESA-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/t19-/m0/s1.
What are the key properties of (1S)-1-cyclopropyl-N-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]-1-(5-methyl-1,3-thiazol-2-yl)methanamine?
(1S)-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 (1S)-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 97318453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).