4-[(1R,3R)-3-(5-ethyl-2-fluorophenyl)-2,2-dimethylcyclopropyl]-1,3-thiazol-2-amine

C16H19FN2S — CID 142058058

IUPAC4-[(1R,3R)-3-(5-ethyl-2-fluorophenyl)-2,2-dimethylcyclopropyl]-1,3-thiazol-2-amine
SMILESCCc1ccc(F)c([C@@H]2[C@@H](c3csc(N)n3)C2(C)C)c1
InChIInChI=1S/C16H19FN2S/c1-4-9-5-6-11(17)10(7-9)13-14(16(13,2)3)12-8-20-15(18)19-12/h5-8,13-14H,4H2,1-3H3,(H2,18,19)/t13-,14-/m1/s1
InChIKeyRFCBYFRNDAIGIM-ZIAGYGMSSA-N
MW290.41 g/mol
LogP4.33
Rot. Bonds3

About 4-[(1R,3R)-3-(5-ethyl-2-fluorophenyl)-2,2-dimethylcyclopropyl]-1,3-thiazol-2-amine

4-[(1R,3R)-3-(5-ethyl-2-fluorophenyl)-2,2-dimethylcyclopropyl]-1,3-thiazol-2-amine (PubChem CID 142058058) has the molecular formula C16H19FN2S and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-[(1R,3R)-3-(5-ethyl-2-fluorophenyl)-2,2-dimethylcyclopropyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[(1R,3R)-3-(5-ethyl-2-fluorophenyl)-2,2-dimethylcyclopropyl]-1,3-thiazol-2-amine
PubChem CID142058058
Molecular FormulaC16H19FN2S
Molecular Weight290.41 g/mol
Exact Mass290.13
IUPAC Name4-[(1R,3R)-3-(5-ethyl-2-fluorophenyl)-2,2-dimethylcyclopropyl]-1,3-thiazol-2-amine
SMILESCCc1ccc(F)c([C@@H]2[C@@H](c3csc(N)n3)C2(C)C)c1
InChIInChI=1S/C16H19FN2S/c1-4-9-5-6-11(17)10(7-9)13-14(16(13,2)3)12-8-20-15(18)19-12/h5-8,13-14H,4H2,1-3H3,(H2,18,19)/t13-,14-/m1/s1
InChIKeyRFCBYFRNDAIGIM-ZIAGYGMSSA-N
XLogP4.33
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[(1R,3R)-3-(5-ethyl-2-fluorophenyl)-2,2-dimethylcyclopropyl]-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(1R,3R)-3-(5-ethyl-2-fluorophenyl)-2,2-dimethylcyclopropyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[(1R,3R)-3-(5-ethyl-2-fluorophenyl)-2,2-dimethylcyclopropyl]-1,3-thiazol-2-amine (CID 142058058) is 4-[(1R,3R)-3-(5-ethyl-2-fluorophenyl)-2,2-dimethylcyclopropyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[(1R,3R)-3-(5-ethyl-2-fluorophenyl)-2,2-dimethylcyclopropyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[(1R,3R)-3-(5-ethyl-2-fluorophenyl)-2,2-dimethylcyclopropyl]-1,3-thiazol-2-amine is CCc1ccc(F)c([C@@H]2[C@@H](c3csc(N)n3)C2(C)C)c1.
What is the InChIKey of 4-[(1R,3R)-3-(5-ethyl-2-fluorophenyl)-2,2-dimethylcyclopropyl]-1,3-thiazol-2-amine?
The InChIKey is RFCBYFRNDAIGIM-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H19FN2S/c1-4-9-5-6-11(17)10(7-9)13-14(16(13,2)3)12-8-20-15(18)19-12/h5-8,13-14H,4H2,1-3H3,(H2,18,19)/t13-,14-/m1/s1.
What are the key properties of 4-[(1R,3R)-3-(5-ethyl-2-fluorophenyl)-2,2-dimethylcyclopropyl]-1,3-thiazol-2-amine?
4-[(1R,3R)-3-(5-ethyl-2-fluorophenyl)-2,2-dimethylcyclopropyl]-1,3-thiazol-2-amine has a molecular weight of 290.41 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R,3R)-3-(5-ethyl-2-fluorophenyl)-2,2-dimethylcyclopropyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 142058058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).