N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]thiophen-3-amine

C14H11FN2S2 — CID 66350578

IUPACN-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]thiophen-3-amine
SMILESFc1ccc(-c2nc(CNc3ccsc3)cs2)cc1
InChIInChI=1S/C14H11FN2S2/c15-11-3-1-10(2-4-11)14-17-13(9-19-14)7-16-12-5-6-18-8-12/h1-6,8-9,16H,7H2
InChIKeyBQFDGTIAFWHMSG-UHFFFAOYSA-N
MW290.39 g/mol
LogP4.62
Rot. Bonds4

About N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]thiophen-3-amine

N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]thiophen-3-amine (PubChem CID 66350578) has the molecular formula C14H11FN2S2 and a molecular weight of 290.39 g/mol. Its IUPAC name is N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]thiophen-3-amine.

Molecular Properties

Compound NameN-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]thiophen-3-amine
PubChem CID66350578
Molecular FormulaC14H11FN2S2
Molecular Weight290.39 g/mol
Exact Mass290.03
IUPAC NameN-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]thiophen-3-amine
SMILESFc1ccc(-c2nc(CNc3ccsc3)cs2)cc1
InChIInChI=1S/C14H11FN2S2/c15-11-3-1-10(2-4-11)14-17-13(9-19-14)7-16-12-5-6-18-8-12/h1-6,8-9,16H,7H2
InChIKeyBQFDGTIAFWHMSG-UHFFFAOYSA-N
XLogP4.62
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]aniline
CID 43407819
3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]phenol
CID 43628520
N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-3-methylaniline
CID 43407810
2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]-1-thiophen-3-ylethanol
CID 111440463
4-propyl-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]aniline
CID 112796910
N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-2,2-dimethylbutan-1-amine
CID 103460462
N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-4-methylpiperazin-1-amine
CID 83010558
N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-2-methylpyridin-3-amine
CID 79042851
2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]acetic acid
CID 43628522
3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]propan-1-ol
CID 43407823
2-bromo-N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]prop-2-en-1-amine
CID 115614858
1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-(2,2,2-trifluoroethoxy)methanamine
CID 82711100

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]thiophen-3-amine?
The IUPAC name of N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]thiophen-3-amine (CID 66350578) is N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]thiophen-3-amine.
What is the SMILES notation for N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]thiophen-3-amine?
The canonical SMILES for N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]thiophen-3-amine is Fc1ccc(-c2nc(CNc3ccsc3)cs2)cc1.
What is the InChIKey of N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]thiophen-3-amine?
The InChIKey is BQFDGTIAFWHMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2S2/c15-11-3-1-10(2-4-11)14-17-13(9-19-14)7-16-12-5-6-18-8-12/h1-6,8-9,16H,7H2.
What are the key properties of N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]thiophen-3-amine?
N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]thiophen-3-amine has a molecular weight of 290.39 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]thiophen-3-amine is sourced from PubChem (CID 66350578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).