1-(4-fluoro-3-thiophen-2-ylphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine

C16H15FN2S2 — CID 61060963

IUPAC1-(4-fluoro-3-thiophen-2-ylphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
SMILESCc1nc(CNCc2ccc(F)c(-c3cccs3)c2)cs1
InChIInChI=1S/C16H15FN2S2/c1-11-19-13(10-21-11)9-18-8-12-4-5-15(17)14(7-12)16-3-2-6-20-16/h2-7,10,18H,8-9H2,1H3
InChIKeyXWGAQHNXRAQNRH-UHFFFAOYSA-N
MW318.44 g/mol
LogP4.61
Rot. Bonds5

About 1-(4-fluoro-3-thiophen-2-ylphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine

1-(4-fluoro-3-thiophen-2-ylphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine (PubChem CID 61060963) has the molecular formula C16H15FN2S2 and a molecular weight of 318.44 g/mol. Its IUPAC name is 1-(4-fluoro-3-thiophen-2-ylphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-fluoro-3-thiophen-2-ylphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
PubChem CID61060963
Molecular FormulaC16H15FN2S2
Molecular Weight318.44 g/mol
Exact Mass318.07
IUPAC Name1-(4-fluoro-3-thiophen-2-ylphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
SMILESCc1nc(CNCc2ccc(F)c(-c3cccs3)c2)cs1
InChIInChI=1S/C16H15FN2S2/c1-11-19-13(10-21-11)9-18-8-12-4-5-15(17)14(7-12)16-3-2-6-20-16/h2-7,10,18H,8-9H2,1H3
InChIKeyXWGAQHNXRAQNRH-UHFFFAOYSA-N
XLogP4.61
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-thiophen-2-ylphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(4-fluoro-3-thiophen-2-ylphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine (CID 61060963) is 1-(4-fluoro-3-thiophen-2-ylphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(4-fluoro-3-thiophen-2-ylphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(4-fluoro-3-thiophen-2-ylphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine is Cc1nc(CNCc2ccc(F)c(-c3cccs3)c2)cs1.
What is the InChIKey of 1-(4-fluoro-3-thiophen-2-ylphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine?
The InChIKey is XWGAQHNXRAQNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2S2/c1-11-19-13(10-21-11)9-18-8-12-4-5-15(17)14(7-12)16-3-2-6-20-16/h2-7,10,18H,8-9H2,1H3.
What are the key properties of 1-(4-fluoro-3-thiophen-2-ylphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine?
1-(4-fluoro-3-thiophen-2-ylphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine has a molecular weight of 318.44 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-thiophen-2-ylphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine is sourced from PubChem (CID 61060963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).