5-[2-(5-Fluoro-2-methoxyphenyl)ethyl]-1,3-thiazol-2-amine

C12H13FN2OS — CID 117540068

IUPAC5-[2-(5-fluoro-2-methoxyphenyl)ethyl]-1,3-thiazol-2-amine
SMILESCOC1=C(C=C(C=C1)F)CCC2=CN=C(S2)N
InChIInChI=1S/C12H13FN2OS/c1-16-11-5-3-9(13)6-8(11)2-4-10-7-15-12(14)17-10/h3,5-7H,2,4H2,1H3,(H2,14,15)
InChIKeyVTUPSMNMCYLSIZ-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.90
Rot. Bonds4

About 5-[2-(5-Fluoro-2-methoxyphenyl)ethyl]-1,3-thiazol-2-amine

5-[2-(5-Fluoro-2-methoxyphenyl)ethyl]-1,3-thiazol-2-amine (PubChem CID 117540068) has the molecular formula C12H13FN2OS and a molecular weight of 252.31 g/mol. Its IUPAC name is 5-[2-(5-fluoro-2-methoxyphenyl)ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[2-(5-Fluoro-2-methoxyphenyl)ethyl]-1,3-thiazol-2-amine
PubChem CID117540068
Molecular FormulaC12H13FN2OS
Molecular Weight252.31 g/mol
Exact Mass252.07
IUPAC Name5-[2-(5-fluoro-2-methoxyphenyl)ethyl]-1,3-thiazol-2-amine
SMILESCOC1=C(C=C(C=C1)F)CCC2=CN=C(S2)N
InChIInChI=1S/C12H13FN2OS/c1-16-11-5-3-9(13)6-8(11)2-4-10-7-15-12(14)17-10/h3,5-7H,2,4H2,1H3,(H2,14,15)
InChIKeyVTUPSMNMCYLSIZ-UHFFFAOYSA-N
XLogP2.90
TPSA76.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity245

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-Methoxyphenyl)methyl]-1,3-thiazol-2-amine
CID 3133052
Thiourea, N-(2-(2-methoxyphenyl)ethyl)-N'-2-thiazolyl-
CID 3001083
Thiourea, N-(2-(2-fluoro-6-methoxyphenyl)ethyl)-N'-2-thiazolyl-
CID 3001091
Thiourea, N-(2-(2-ethoxy-6-fluorophenyl)ethyl)-N'-2-thiazolyl-
CID 3001092
5-(4-Methoxyphenyl)-1,3-thiazol-2-amine
CID 679467
3-(2-Amino-1,3-thiazol-5-yl)chromen-2-one
CID 666986
5-(4-Propoxyphenyl)thiazol-2-amine
CID 2215607
3-(2-methoxyphenyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 2102534
3-(4-methoxyphenyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 2110385
2-(2-methoxyphenyl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 2399334
N-[5-(4-fluorobenzyl)-1,3-thiazol-2-yl]-2-(2-methylphenoxy)acetamide
CID 1143610
N-(4-Fluorophenyl)-5-(3-methoxyphenyl)-1,3-thiazol-2-amine
CID 627205

Frequently Asked Questions

What is the IUPAC name of 5-[2-(5-Fluoro-2-methoxyphenyl)ethyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[2-(5-Fluoro-2-methoxyphenyl)ethyl]-1,3-thiazol-2-amine (CID 117540068) is 5-[2-(5-fluoro-2-methoxyphenyl)ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[2-(5-Fluoro-2-methoxyphenyl)ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[2-(5-Fluoro-2-methoxyphenyl)ethyl]-1,3-thiazol-2-amine is COC1=C(C=C(C=C1)F)CCC2=CN=C(S2)N.
What is the InChIKey of 5-[2-(5-Fluoro-2-methoxyphenyl)ethyl]-1,3-thiazol-2-amine?
The InChIKey is VTUPSMNMCYLSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2OS/c1-16-11-5-3-9(13)6-8(11)2-4-10-7-15-12(14)17-10/h3,5-7H,2,4H2,1H3,(H2,14,15).
What are the key properties of 5-[2-(5-Fluoro-2-methoxyphenyl)ethyl]-1,3-thiazol-2-amine?
5-[2-(5-Fluoro-2-methoxyphenyl)ethyl]-1,3-thiazol-2-amine has a molecular weight of 252.31 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(5-Fluoro-2-methoxyphenyl)ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 117540068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).