2-chloro-4-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine

C5H4ClF3N2S — CID 84784958

IUPAC2-chloro-4-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine
SMILESNc1sc(Cl)nc1CC(F)(F)F
InChIInChI=1S/C5H4ClF3N2S/c6-4-11-2(3(10)12-4)1-5(7,8)9/h1,10H2
InChIKeyQNHIRESGAGSMFT-UHFFFAOYSA-N
MW216.61 g/mol
LogP2.48
Rot. Bonds1

About 2-chloro-4-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine

2-chloro-4-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine (PubChem CID 84784958) has the molecular formula C5H4ClF3N2S and a molecular weight of 216.61 g/mol. Its IUPAC name is 2-chloro-4-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine.

Molecular Properties

Compound Name2-chloro-4-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine
PubChem CID84784958
Molecular FormulaC5H4ClF3N2S
Molecular Weight216.61 g/mol
Exact Mass215.97
IUPAC Name2-chloro-4-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine
SMILESNc1sc(Cl)nc1CC(F)(F)F
InChIInChI=1S/C5H4ClF3N2S/c6-4-11-2(3(10)12-4)1-5(7,8)9/h1,10H2
InChIKeyQNHIRESGAGSMFT-UHFFFAOYSA-N
XLogP2.48
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.61
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Chloro-4-(trifluoromethyl)thiazol-5-amine
CID 15091384
4-(2,2,2-Trifluoroethyl)-1,3-thiazol-5-amine
CID 84768657
2-Methyl-4-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine
CID 84773872
4-(2,2,2-Trifluoroethyl)-1,3-thiazole-2,5-diamine
CID 84774130
2-Bromo-4-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine
CID 84806649
4-Ethyl-2-methyl-1,3-thiazol-5-amine
CID 62082568
2,4-Diethyl-1,3-thiazol-5-amine
CID 62083086
2-Bromo-4-ethyl-1,3-thiazol-5-amine
CID 84779314
4-Ethanimidoyl-2-ethyl-1,3-thiazol-5-amine
CID 137078448
4-Ethyl-2-propyl-1,3-thiazol-5-amine
CID 62083104
2-Chloro-4-ethyl-1,3-thiazol-5-amine
CID 84764549
2-Chloro-4-propan-2-yl-1,3-thiazol-5-amine
CID 84767230

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine?
The IUPAC name of 2-chloro-4-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine (CID 84784958) is 2-chloro-4-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine.
What is the SMILES notation for 2-chloro-4-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine?
The canonical SMILES for 2-chloro-4-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine is Nc1sc(Cl)nc1CC(F)(F)F.
What is the InChIKey of 2-chloro-4-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine?
The InChIKey is QNHIRESGAGSMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClF3N2S/c6-4-11-2(3(10)12-4)1-5(7,8)9/h1,10H2.
What are the key properties of 2-chloro-4-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine?
2-chloro-4-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine has a molecular weight of 216.61 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine is sourced from PubChem (CID 84784958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).