2-[4-(3,5-difluorophenyl)-1,3-thiazol-2-yl]ethanamine

C11H10F2N2S — CID 79016354

IUPAC2-[4-(3,5-difluorophenyl)-1,3-thiazol-2-yl]ethanamine
SMILESNCCc1nc(-c2cc(F)cc(F)c2)cs1
InChIInChI=1S/C11H10F2N2S/c12-8-3-7(4-9(13)5-8)10-6-16-11(15-10)1-2-14/h3-6H,1-2,14H2
InChIKeyNPUSPHZQAGOUTG-UHFFFAOYSA-N
MW240.28 g/mol
LogP2.59
Rot. Bonds3

About 2-[4-(3,5-difluorophenyl)-1,3-thiazol-2-yl]ethanamine

2-[4-(3,5-difluorophenyl)-1,3-thiazol-2-yl]ethanamine (PubChem CID 79016354) has the molecular formula C11H10F2N2S and a molecular weight of 240.28 g/mol. Its IUPAC name is 2-[4-(3,5-difluorophenyl)-1,3-thiazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(3,5-difluorophenyl)-1,3-thiazol-2-yl]ethanamine
PubChem CID79016354
Molecular FormulaC11H10F2N2S
Molecular Weight240.28 g/mol
Exact Mass240.05
IUPAC Name2-[4-(3,5-difluorophenyl)-1,3-thiazol-2-yl]ethanamine
SMILESNCCc1nc(-c2cc(F)cc(F)c2)cs1
InChIInChI=1S/C11H10F2N2S/c12-8-3-7(4-9(13)5-8)10-6-16-11(15-10)1-2-14/h3-6H,1-2,14H2
InChIKeyNPUSPHZQAGOUTG-UHFFFAOYSA-N
XLogP2.59
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methyl-4-phenyl-1,3-thiazole
CID 584377
3-(2-Methyl-thiazol-4-yl)-phenylamine
CID 736535
4-(4-Fluorophenyl)-1,3-thiazol-2-amine
CID 722371
4-(3,4-Difluorophenyl)-1,3-thiazol-2-amine
CID 706326
4-(2-Methyl-1,3-Thiazol-4-Yl)-N-(3,3,3-Trifluoropropyl)benzenesulfonamide
CID 73507388
N-ethyl-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
CID 2591198
2-(4-p-Tolyl-thiazol-2-yl)-acetamide
CID 1079159
4-(3-Fluorophenyl)-1,3-thiazol-2-amine
CID 777996
4-(2-Fluorophenyl)-1,3-thiazol-2-amine
CID 2737696
2-Methyl-4-(4-aminophenyl)thiazole
CID 152684
2-(2-Phenyl-1,3-thiazol-4-yl)acetonitrile
CID 223844
2-Amino-4-(2,4-difluorophenyl)thiazole
CID 611370

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,5-difluorophenyl)-1,3-thiazol-2-yl]ethanamine?
The IUPAC name of 2-[4-(3,5-difluorophenyl)-1,3-thiazol-2-yl]ethanamine (CID 79016354) is 2-[4-(3,5-difluorophenyl)-1,3-thiazol-2-yl]ethanamine.
What is the SMILES notation for 2-[4-(3,5-difluorophenyl)-1,3-thiazol-2-yl]ethanamine?
The canonical SMILES for 2-[4-(3,5-difluorophenyl)-1,3-thiazol-2-yl]ethanamine is NCCc1nc(-c2cc(F)cc(F)c2)cs1.
What is the InChIKey of 2-[4-(3,5-difluorophenyl)-1,3-thiazol-2-yl]ethanamine?
The InChIKey is NPUSPHZQAGOUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2S/c12-8-3-7(4-9(13)5-8)10-6-16-11(15-10)1-2-14/h3-6H,1-2,14H2.
What are the key properties of 2-[4-(3,5-difluorophenyl)-1,3-thiazol-2-yl]ethanamine?
2-[4-(3,5-difluorophenyl)-1,3-thiazol-2-yl]ethanamine has a molecular weight of 240.28 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,5-difluorophenyl)-1,3-thiazol-2-yl]ethanamine is sourced from PubChem (CID 79016354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).