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

C16H15FN2OS — CID 53272880

IUPAC1-(2-fluorophenyl)-N-[[5-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]methyl]methanamine
SMILESCc1ccc(-c2cnc(CNCc3ccccc3F)s2)o1
InChIInChI=1S/C16H15FN2OS/c1-11-6-7-14(20-11)15-9-19-16(21-15)10-18-8-12-4-2-3-5-13(12)17/h2-7,9,18H,8,10H2,1H3
InChIKeyOHRIXAQHZCYETF-UHFFFAOYSA-N
MW302.37 g/mol
LogP4.14
Rot. Bonds5

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

1-(2-fluorophenyl)-N-[[5-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]methyl]methanamine (PubChem CID 53272880) has the molecular formula C16H15FN2OS and a molecular weight of 302.37 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[[5-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]methyl]methanamine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[[5-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]methyl]methanamine
PubChem CID53272880
Molecular FormulaC16H15FN2OS
Molecular Weight302.37 g/mol
Exact Mass302.09
IUPAC Name1-(2-fluorophenyl)-N-[[5-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]methyl]methanamine
SMILESCc1ccc(-c2cnc(CNCc3ccccc3F)s2)o1
InChIInChI=1S/C16H15FN2OS/c1-11-6-7-14(20-11)15-9-19-16(21-15)10-18-8-12-4-2-3-5-13(12)17/h2-7,9,18H,8,10H2,1H3
InChIKeyOHRIXAQHZCYETF-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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Related Compounds

1-(5-(Furan-2-yl)-thiazol-2-yl)-7-phenylheptan-1-one
CID 24951161
(1S)-1-cyclopropyl-N-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]-1-(5-methyl-1,3-thiazol-2-yl)methanamine
CID 97318453
2-fluoro-N-[3-[5-(furan-2-yl)-1,3-thiazol-2-yl]phenyl]benzamide
CID 142440275
1-(4-fluorophenyl)-N-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]methanamine
CID 53272184
2-(4-fluorophenyl)-N-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 53272185
N-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1-(furan-2-yl)methanamine
CID 53272204
2-Thiazolemethanamine, N-[2-(2-fluorophenyl)ethyl]-5-(2-furanyl)-
CID 53272205
1-(2-fluorophenyl)-N-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]methanamine
CID 53272218
2-(3-fluorophenyl)-N-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 53272219
N-[[5-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1-(furan-2-yl)methanamine
CID 53272224
N-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
CID 53272764
N-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 53272773

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[[5-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]methyl]methanamine?
The IUPAC name of 1-(2-fluorophenyl)-N-[[5-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]methyl]methanamine (CID 53272880) is 1-(2-fluorophenyl)-N-[[5-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]methyl]methanamine.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[[5-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]methyl]methanamine?
The canonical SMILES for 1-(2-fluorophenyl)-N-[[5-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]methyl]methanamine is Cc1ccc(-c2cnc(CNCc3ccccc3F)s2)o1.
What is the InChIKey of 1-(2-fluorophenyl)-N-[[5-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]methyl]methanamine?
The InChIKey is OHRIXAQHZCYETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2OS/c1-11-6-7-14(20-11)15-9-19-16(21-15)10-18-8-12-4-2-3-5-13(12)17/h2-7,9,18H,8,10H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-N-[[5-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]methyl]methanamine?
1-(2-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-(2-fluorophenyl)-N-[[5-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]methyl]methanamine is sourced from PubChem (CID 53272880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).