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

C8H10BrF3N2S — CID 79399659

IUPAC4-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCC(C)N(CC(F)(F)F)c1nc(Br)cs1
InChIInChI=1S/C8H10BrF3N2S/c1-5(2)14(4-8(10,11)12)7-13-6(9)3-15-7/h3,5H,4H2,1-2H3
InChIKeyPUINUECNPDRSKX-UHFFFAOYSA-N
MW303.15 g/mol
LogP3.68
Rot. Bonds3

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

4-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (PubChem CID 79399659) has the molecular formula C8H10BrF3N2S and a molecular weight of 303.15 g/mol. Its IUPAC name is 4-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
PubChem CID79399659
Molecular FormulaC8H10BrF3N2S
Molecular Weight303.15 g/mol
Exact Mass301.97
IUPAC Name4-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCC(C)N(CC(F)(F)F)c1nc(Br)cs1
InChIInChI=1S/C8H10BrF3N2S/c1-5(2)14(4-8(10,11)12)7-13-6(9)3-15-7/h3,5H,4H2,1-2H3
InChIKeyPUINUECNPDRSKX-UHFFFAOYSA-N
XLogP3.68
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.15
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Bromo-2-(3,3-difluoropyrrolidin-1-yl)-1,3-thiazole
CID 130607013
4-Bromo-2-(4,4-difluoropiperidin-1-yl)-1,3-thiazole
CID 169266631
4-Bromo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazole
CID 79398689
4-bromo-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 79398747
4-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 79398922
4-bromo-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 79399412
4-bromo-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 79399535
4-bromo-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 79399763
4-bromo-N-methyl-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine
CID 79399802
4-Bromo-2-[3-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole
CID 79399927
4-Bromo-2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole
CID 79400048
4-chloro-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 83156710

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (CID 79399659) is 4-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is CC(C)N(CC(F)(F)F)c1nc(Br)cs1.
What is the InChIKey of 4-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The InChIKey is PUINUECNPDRSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrF3N2S/c1-5(2)14(4-8(10,11)12)7-13-6(9)3-15-7/h3,5H,4H2,1-2H3.
What are the key properties of 4-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
4-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine has a molecular weight of 303.15 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 79399659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).