N-ethyl-5-[(2-fluoro-3-methylphenoxy)methyl]-1,3-thiazol-2-amine

C13H15FN2OS — CID 107660672

IUPACN-ethyl-5-[(2-fluoro-3-methylphenoxy)methyl]-1,3-thiazol-2-amine
SMILESCCNc1ncc(COc2cccc(C)c2F)s1
InChIInChI=1S/C13H15FN2OS/c1-3-15-13-16-7-10(18-13)8-17-11-6-4-5-9(2)12(11)14/h4-7H,3,8H2,1-2H3,(H,15,16)
InChIKeyRYVYRZZIMGDFJA-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.60
Rot. Bonds5

About N-ethyl-5-[(2-fluoro-3-methylphenoxy)methyl]-1,3-thiazol-2-amine

N-ethyl-5-[(2-fluoro-3-methylphenoxy)methyl]-1,3-thiazol-2-amine (PubChem CID 107660672) has the molecular formula C13H15FN2OS and a molecular weight of 266.34 g/mol. Its IUPAC name is N-ethyl-5-[(2-fluoro-3-methylphenoxy)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-5-[(2-fluoro-3-methylphenoxy)methyl]-1,3-thiazol-2-amine
PubChem CID107660672
Molecular FormulaC13H15FN2OS
Molecular Weight266.34 g/mol
Exact Mass266.09
IUPAC NameN-ethyl-5-[(2-fluoro-3-methylphenoxy)methyl]-1,3-thiazol-2-amine
SMILESCCNc1ncc(COc2cccc(C)c2F)s1
InChIInChI=1S/C13H15FN2OS/c1-3-15-13-16-7-10(18-13)8-17-11-6-4-5-9(2)12(11)14/h4-7H,3,8H2,1-2H3,(H,15,16)
InChIKeyRYVYRZZIMGDFJA-UHFFFAOYSA-N
XLogP3.60
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Thiourea, N-(2-(2-ethoxy-6-fluorophenyl)ethyl)-N'-2-thiazolyl-
CID 3001092
Thiourea, N-(2-(3-ethoxyphenyl)ethyl)-N'-2-thiazolyl-
CID 3001172
5-[(4-Methoxyphenyl)methyl]-1,3-thiazol-2-amine
CID 3133052
Thiourea, N-(2-(3-propoxyphenyl)ethyl)-N'-2-thiazolyl-
CID 3001084
Thiourea, N-(2-(3-(1-methylethoxy)phenyl)ethyl)-N'-2-thiazolyl-
CID 3001085
5-(4-Methoxyphenyl)-1,3-thiazol-2-amine
CID 679467
Thiourea, N-(2-(3-(hexyloxy)phenyl)ethyl)-N'-2-thiazolyl-
CID 3001086
US10913733, Example 42
CID 137361278
5-(4-Propoxyphenyl)thiazol-2-amine
CID 2215607
4-(3-cyanophenoxy)-N-[5-(trifluoromethyl)thiazol-2-yl]butanamide
CID 155543987
4-(3-methylphenoxy)-N-(5-methylthiazol-2-yl)butanamide
CID 8919483
N-(5-methylthiazol-2-yl)-4-[3-(trifluoromethyl)phenoxy]butanamide
CID 145420175

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[(2-fluoro-3-methylphenoxy)methyl]-1,3-thiazol-2-amine?
The IUPAC name of N-ethyl-5-[(2-fluoro-3-methylphenoxy)methyl]-1,3-thiazol-2-amine (CID 107660672) is N-ethyl-5-[(2-fluoro-3-methylphenoxy)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-ethyl-5-[(2-fluoro-3-methylphenoxy)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-ethyl-5-[(2-fluoro-3-methylphenoxy)methyl]-1,3-thiazol-2-amine is CCNc1ncc(COc2cccc(C)c2F)s1.
What is the InChIKey of N-ethyl-5-[(2-fluoro-3-methylphenoxy)methyl]-1,3-thiazol-2-amine?
The InChIKey is RYVYRZZIMGDFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2OS/c1-3-15-13-16-7-10(18-13)8-17-11-6-4-5-9(2)12(11)14/h4-7H,3,8H2,1-2H3,(H,15,16).
What are the key properties of N-ethyl-5-[(2-fluoro-3-methylphenoxy)methyl]-1,3-thiazol-2-amine?
N-ethyl-5-[(2-fluoro-3-methylphenoxy)methyl]-1,3-thiazol-2-amine has a molecular weight of 266.34 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[(2-fluoro-3-methylphenoxy)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 107660672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).