4-bromo-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine

C8H8BrF3N2S — CID 79399412

IUPAC4-bromo-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESFC(F)(F)CN(c1nc(Br)cs1)C1CC1
InChIInChI=1S/C8H8BrF3N2S/c9-6-3-15-7(13-6)14(5-1-2-5)4-8(10,11)12/h3,5H,1-2,4H2
InChIKeySFGKCQCLYRKNFU-UHFFFAOYSA-N
MW301.13 g/mol
LogP3.44
Rot. Bonds3

About 4-bromo-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine

4-bromo-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (PubChem CID 79399412) has the molecular formula C8H8BrF3N2S and a molecular weight of 301.13 g/mol. Its IUPAC name is 4-bromo-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-bromo-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
PubChem CID79399412
Molecular FormulaC8H8BrF3N2S
Molecular Weight301.13 g/mol
Exact Mass299.95
IUPAC Name4-bromo-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESFC(F)(F)CN(c1nc(Br)cs1)C1CC1
InChIInChI=1S/C8H8BrF3N2S/c9-6-3-15-7(13-6)14(5-1-2-5)4-8(10,11)12/h3,5H,1-2,4H2
InChIKeySFGKCQCLYRKNFU-UHFFFAOYSA-N
XLogP3.44
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.13
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-bromo-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (CID 79399412) is 4-bromo-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-bromo-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-bromo-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is FC(F)(F)CN(c1nc(Br)cs1)C1CC1.
What is the InChIKey of 4-bromo-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The InChIKey is SFGKCQCLYRKNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrF3N2S/c9-6-3-15-7(13-6)14(5-1-2-5)4-8(10,11)12/h3,5H,1-2,4H2.
What are the key properties of 4-bromo-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
4-bromo-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine has a molecular weight of 301.13 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 79399412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).