4-chloro-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine

C6H6ClF3N2S — CID 83156445

IUPAC4-chloro-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCN(CC(F)(F)F)c1nc(Cl)cs1
InChIInChI=1S/C6H6ClF3N2S/c1-12(3-6(8,9)10)5-11-4(7)2-13-5/h2H,3H2,1H3
InChIKeyWWBZFMNZUJLFLK-UHFFFAOYSA-N
MW230.64 g/mol
LogP2.80
Rot. Bonds2

About 4-chloro-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine

4-chloro-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (PubChem CID 83156445) has the molecular formula C6H6ClF3N2S and a molecular weight of 230.64 g/mol. Its IUPAC name is 4-chloro-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-chloro-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
PubChem CID83156445
Molecular FormulaC6H6ClF3N2S
Molecular Weight230.64 g/mol
Exact Mass229.99
IUPAC Name4-chloro-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCN(CC(F)(F)F)c1nc(Cl)cs1
InChIInChI=1S/C6H6ClF3N2S/c1-12(3-6(8,9)10)5-11-4(7)2-13-5/h2H,3H2,1H3
InChIKeyWWBZFMNZUJLFLK-UHFFFAOYSA-N
XLogP2.80
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.64
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-ethyl-1,3-thiazol-2-amine
CID 83157418
4-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 79398922
4-bromo-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 79399763
4-chloro-N-(2,2-difluoroethyl)-1,3-thiazol-2-amine
CID 83151845
4-chloro-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine
CID 83151949
4-chloro-N-(4,4,4-trifluorobutyl)-1,3-thiazol-2-amine
CID 83151966
4-chloro-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 83152517
4-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 83155974
4-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 83156585
4-chloro-N-methyl-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine
CID 83156607
4-chloro-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 83156710
4-Chloro-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazole
CID 83156720

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-chloro-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (CID 83156445) is 4-chloro-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-chloro-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-chloro-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is CN(CC(F)(F)F)c1nc(Cl)cs1.
What is the InChIKey of 4-chloro-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The InChIKey is WWBZFMNZUJLFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClF3N2S/c1-12(3-6(8,9)10)5-11-4(7)2-13-5/h2H,3H2,1H3.
What are the key properties of 4-chloro-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
4-chloro-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine has a molecular weight of 230.64 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 83156445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).