1-(4-fluorophenyl)-N-[[5-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]methyl]methanamine

C16H15FN2OS — CID 53272846

IUPAC1-(4-fluorophenyl)-N-[[5-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]methyl]methanamine
SMILESCc1ccc(-c2cnc(CNCc3ccc(F)cc3)s2)o1
InChIInChI=1S/C16H15FN2OS/c1-11-2-7-14(20-11)15-9-19-16(21-15)10-18-8-12-3-5-13(17)6-4-12/h2-7,9,18H,8,10H2,1H3
InChIKeyIZJHTTLIJVLTQD-UHFFFAOYSA-N
MW302.37 g/mol
LogP4.14
Rot. Bonds5

About 1-(4-fluorophenyl)-N-[[5-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]methyl]methanamine

1-(4-fluorophenyl)-N-[[5-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]methyl]methanamine (PubChem CID 53272846) has the molecular formula C16H15FN2OS and a molecular weight of 302.37 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[[5-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]methyl]methanamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[[5-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]methyl]methanamine
PubChem CID53272846
Molecular FormulaC16H15FN2OS
Molecular Weight302.37 g/mol
Exact Mass302.09
IUPAC Name1-(4-fluorophenyl)-N-[[5-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]methyl]methanamine
SMILESCc1ccc(-c2cnc(CNCc3ccc(F)cc3)s2)o1
InChIInChI=1S/C16H15FN2OS/c1-11-2-7-14(20-11)15-9-19-16(21-15)10-18-8-12-3-5-13(17)6-4-12/h2-7,9,18H,8,10H2,1H3
InChIKeyIZJHTTLIJVLTQD-UHFFFAOYSA-N
XLogP4.14
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[[5-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]methyl]methanamine?
The IUPAC name of 1-(4-fluorophenyl)-N-[[5-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]methyl]methanamine (CID 53272846) is 1-(4-fluorophenyl)-N-[[5-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]methyl]methanamine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[[5-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]methyl]methanamine?
The canonical SMILES for 1-(4-fluorophenyl)-N-[[5-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]methyl]methanamine is Cc1ccc(-c2cnc(CNCc3ccc(F)cc3)s2)o1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[[5-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]methyl]methanamine?
The InChIKey is IZJHTTLIJVLTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2OS/c1-11-2-7-14(20-11)15-9-19-16(21-15)10-18-8-12-3-5-13(17)6-4-12/h2-7,9,18H,8,10H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-N-[[5-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]methyl]methanamine?
1-(4-fluorophenyl)-N-[[5-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]methyl]methanamine has a molecular weight of 302.37 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[[5-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]methyl]methanamine is sourced from PubChem (CID 53272846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).