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

C10H9FN2S — CID 61280947

IUPAC[2-(3-fluorophenyl)-1,3-thiazol-5-yl]methanamine
SMILESNCc1cnc(-c2cccc(F)c2)s1
InChIInChI=1S/C10H9FN2S/c11-8-3-1-2-7(4-8)10-13-6-9(5-12)14-10/h1-4,6H,5,12H2
InChIKeyHGRVVNPPBBVNEN-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.41
Rot. Bonds2

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

[2-(3-fluorophenyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 61280947) has the molecular formula C10H9FN2S and a molecular weight of 208.26 g/mol. Its IUPAC name is [2-(3-fluorophenyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(3-fluorophenyl)-1,3-thiazol-5-yl]methanamine
PubChem CID61280947
Molecular FormulaC10H9FN2S
Molecular Weight208.26 g/mol
Exact Mass208.05
IUPAC Name[2-(3-fluorophenyl)-1,3-thiazol-5-yl]methanamine
SMILESNCc1cnc(-c2cccc(F)c2)s1
InChIInChI=1S/C10H9FN2S/c11-8-3-1-2-7(4-8)10-13-6-9(5-12)14-10/h1-4,6H,5,12H2
InChIKeyHGRVVNPPBBVNEN-UHFFFAOYSA-N
XLogP2.41
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-(1,3-Thiazol-2-yl)phenyl)methanamine
CID 21066395
2-Phenylthiazole
CID 547494
(2-Phenyl-1,3-thiazol-5-yl)methanamine
CID 595758
(2-Phenyl-1,3-thiazol-5-yl)methanamine hydrochloride
CID 2932203
5-Methyl-2-phenyl-1,3-thiazole
CID 551875
5-Bromo-2-phenyl-1,3-thiazole
CID 13546649
[3-(1,3-Thiazol-2-YL)phenyl]methylamine
CID 18525727
5-[(5-Methyl-3-pyridinyl)methyl]-2-phenyl-1,3-thiazole
CID 137638612
(E)-3-[2-(2,4-difluorophenyl)-1,3-thiazol-5-yl]-N-hydroxyprop-2-enamide
CID 166636252
2,5-Diphenylthiazole
CID 3014233
4-(1,3-Thiazol-2-yl)aniline
CID 3474784
2,2'-Bis[4-(trifluoromethyl)phenyl]-5,5'-bithiazole
CID 86081916

Frequently Asked Questions

What is the IUPAC name of [2-(3-fluorophenyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-(3-fluorophenyl)-1,3-thiazol-5-yl]methanamine (CID 61280947) is [2-(3-fluorophenyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-(3-fluorophenyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-(3-fluorophenyl)-1,3-thiazol-5-yl]methanamine is NCc1cnc(-c2cccc(F)c2)s1.
What is the InChIKey of [2-(3-fluorophenyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is HGRVVNPPBBVNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2S/c11-8-3-1-2-7(4-8)10-13-6-9(5-12)14-10/h1-4,6H,5,12H2.
What are the key properties of [2-(3-fluorophenyl)-1,3-thiazol-5-yl]methanamine?
[2-(3-fluorophenyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 208.26 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluorophenyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 61280947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).