N-(4-fluoro-3-methylphenyl)-4-(2-methoxyethyl)-4,5-dihydro-1,3-thiazol-2-amine

C13H17FN2OS — CID 114211017

IUPACN-(4-fluoro-3-methylphenyl)-4-(2-methoxyethyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCOCCC1CSC(Nc2ccc(F)c(C)c2)=N1
InChIInChI=1S/C13H17FN2OS/c1-9-7-10(3-4-12(9)14)15-13-16-11(8-18-13)5-6-17-2/h3-4,7,11H,5-6,8H2,1-2H3,(H,15,16)
InChIKeyBPQKXNUDUNJSNU-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.05
Rot. Bonds4

About N-(4-fluoro-3-methylphenyl)-4-(2-methoxyethyl)-4,5-dihydro-1,3-thiazol-2-amine

N-(4-fluoro-3-methylphenyl)-4-(2-methoxyethyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 114211017) has the molecular formula C13H17FN2OS and a molecular weight of 268.36 g/mol. Its IUPAC name is N-(4-fluoro-3-methylphenyl)-4-(2-methoxyethyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4-fluoro-3-methylphenyl)-4-(2-methoxyethyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID114211017
Molecular FormulaC13H17FN2OS
Molecular Weight268.36 g/mol
Exact Mass268.10
IUPAC NameN-(4-fluoro-3-methylphenyl)-4-(2-methoxyethyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCOCCC1CSC(Nc2ccc(F)c(C)c2)=N1
InChIInChI=1S/C13H17FN2OS/c1-9-7-10(3-4-12(9)14)15-13-16-11(8-18-13)5-6-17-2/h3-4,7,11H,5-6,8H2,1-2H3,(H,15,16)
InChIKeyBPQKXNUDUNJSNU-UHFFFAOYSA-N
XLogP3.05
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-methylphenyl)-4-(2-methoxyethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(4-fluoro-3-methylphenyl)-4-(2-methoxyethyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 114211017) is N-(4-fluoro-3-methylphenyl)-4-(2-methoxyethyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4-fluoro-3-methylphenyl)-4-(2-methoxyethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(4-fluoro-3-methylphenyl)-4-(2-methoxyethyl)-4,5-dihydro-1,3-thiazol-2-amine is COCCC1CSC(Nc2ccc(F)c(C)c2)=N1.
What is the InChIKey of N-(4-fluoro-3-methylphenyl)-4-(2-methoxyethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is BPQKXNUDUNJSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2OS/c1-9-7-10(3-4-12(9)14)15-13-16-11(8-18-13)5-6-17-2/h3-4,7,11H,5-6,8H2,1-2H3,(H,15,16).
What are the key properties of N-(4-fluoro-3-methylphenyl)-4-(2-methoxyethyl)-4,5-dihydro-1,3-thiazol-2-amine?
N-(4-fluoro-3-methylphenyl)-4-(2-methoxyethyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 268.36 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-methylphenyl)-4-(2-methoxyethyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 114211017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).