1-(4-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine

C11H11FN2S — CID 60962189

IUPAC1-(4-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine
SMILESFc1ccc(CNCc2nccs2)cc1
InChIInChI=1S/C11H11FN2S/c12-10-3-1-9(2-4-10)7-13-8-11-14-5-6-15-11/h1-6,13H,7-8H2
InChIKeyJWAGFDWEWFJIRM-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.57
Rot. Bonds4

About 1-(4-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine

1-(4-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine (PubChem CID 60962189) has the molecular formula C11H11FN2S and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine
PubChem CID60962189
Molecular FormulaC11H11FN2S
Molecular Weight222.29 g/mol
Exact Mass222.06
IUPAC Name1-(4-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine
SMILESFc1ccc(CNCc2nccs2)cc1
InChIInChI=1S/C11H11FN2S/c12-10-3-1-9(2-4-10)7-13-8-11-14-5-6-15-11/h1-6,13H,7-8H2
InChIKeyJWAGFDWEWFJIRM-UHFFFAOYSA-N
XLogP2.57
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-(1,3-Thiazol-2-yl)phenyl)methanamine
CID 21066395
1-Benzyl-3-thiazol-2-yl-thiourea
CID 700723
2-Phenylthiazole
CID 547494
2-Benzyl-1,3-thiazole
CID 21183829
[3-(1,3-Thiazol-2-YL)phenyl]methylamine
CID 18525727
N'-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-N'-(1,3-thiazol-2-ylmethyl)butane-1,4-diamine
CID 135314474
(1S)-2-phenyl-N-(1,3-thiazol-2-ylmethyl)cyclopropan-1-amine
CID 68574739
4-(1,3-Thiazol-2-yl)aniline
CID 3474784
3-Benzylthiazolium Bromide
CID 11608558
Phenyl(1,3-thiazol-2-yl)methanamine
CID 20773071
alpha-(Phenylmethyl)-2-thiazolemethanamine
CID 369619
(5-Phenyl-1,3-thiazol-2-yl)methanamine
CID 595757

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine?
The IUPAC name of 1-(4-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine (CID 60962189) is 1-(4-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine?
The canonical SMILES for 1-(4-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine is Fc1ccc(CNCc2nccs2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine?
The InChIKey is JWAGFDWEWFJIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2S/c12-10-3-1-9(2-4-10)7-13-8-11-14-5-6-15-11/h1-6,13H,7-8H2.
What are the key properties of 1-(4-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine?
1-(4-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine has a molecular weight of 222.29 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine is sourced from PubChem (CID 60962189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).