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

C16H15FN2OS — CID 103700664

IUPAC1-[5-(4-fluorophenyl)furan-2-yl]-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine
SMILESCc1cnc(CNCc2ccc(-c3ccc(F)cc3)o2)s1
InChIInChI=1S/C16H15FN2OS/c1-11-8-19-16(21-11)10-18-9-14-6-7-15(20-14)12-2-4-13(17)5-3-12/h2-8,18H,9-10H2,1H3
InChIKeyAIBBVIKQLICGTA-UHFFFAOYSA-N
MW302.37 g/mol
LogP4.14
Rot. Bonds5

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

1-[5-(4-fluorophenyl)furan-2-yl]-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine (PubChem CID 103700664) has the molecular formula C16H15FN2OS and a molecular weight of 302.37 g/mol. Its IUPAC name is 1-[5-(4-fluorophenyl)furan-2-yl]-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[5-(4-fluorophenyl)furan-2-yl]-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine
PubChem CID103700664
Molecular FormulaC16H15FN2OS
Molecular Weight302.37 g/mol
Exact Mass302.09
IUPAC Name1-[5-(4-fluorophenyl)furan-2-yl]-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine
SMILESCc1cnc(CNCc2ccc(-c3ccc(F)cc3)o2)s1
InChIInChI=1S/C16H15FN2OS/c1-11-8-19-16(21-11)10-18-9-14-6-7-15(20-14)12-2-4-13(17)5-3-12/h2-8,18H,9-10H2,1H3
InChIKeyAIBBVIKQLICGTA-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-[5-(4-fluorophenyl)furan-2-yl]-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine?
The IUPAC name of 1-[5-(4-fluorophenyl)furan-2-yl]-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine (CID 103700664) is 1-[5-(4-fluorophenyl)furan-2-yl]-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-[5-(4-fluorophenyl)furan-2-yl]-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-[5-(4-fluorophenyl)furan-2-yl]-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine is Cc1cnc(CNCc2ccc(-c3ccc(F)cc3)o2)s1.
What is the InChIKey of 1-[5-(4-fluorophenyl)furan-2-yl]-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine?
The InChIKey is AIBBVIKQLICGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2OS/c1-11-8-19-16(21-11)10-18-9-14-6-7-15(20-14)12-2-4-13(17)5-3-12/h2-8,18H,9-10H2,1H3.
What are the key properties of 1-[5-(4-fluorophenyl)furan-2-yl]-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine?
1-[5-(4-fluorophenyl)furan-2-yl]-N-[(5-methyl-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-[5-(4-fluorophenyl)furan-2-yl]-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine is sourced from PubChem (CID 103700664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).