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

C8H10ClF3N2S — CID 107490609

IUPACN-(2-chloroethyl)-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCc1csc(N(CCCl)CC(F)(F)F)n1
InChIInChI=1S/C8H10ClF3N2S/c1-6-4-15-7(13-6)14(3-2-9)5-8(10,11)12/h4H,2-3,5H2,1H3
InChIKeyXEHCRBJCZBHMIB-UHFFFAOYSA-N
MW258.70 g/mol
LogP3.06
Rot. Bonds4

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

N-(2-chloroethyl)-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (PubChem CID 107490609) has the molecular formula C8H10ClF3N2S and a molecular weight of 258.70 g/mol. Its IUPAC name is N-(2-chloroethyl)-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-chloroethyl)-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
PubChem CID107490609
Molecular FormulaC8H10ClF3N2S
Molecular Weight258.70 g/mol
Exact Mass258.02
IUPAC NameN-(2-chloroethyl)-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCc1csc(N(CCCl)CC(F)(F)F)n1
InChIInChI=1S/C8H10ClF3N2S/c1-6-4-15-7(13-6)14(3-2-9)5-8(10,11)12/h4H,2-3,5H2,1H3
InChIKeyXEHCRBJCZBHMIB-UHFFFAOYSA-N
XLogP3.06
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.70
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-(2-chloroethyl)-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (CID 107490609) is N-(2-chloroethyl)-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-chloroethyl)-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-chloroethyl)-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is Cc1csc(N(CCCl)CC(F)(F)F)n1.
What is the InChIKey of N-(2-chloroethyl)-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The InChIKey is XEHCRBJCZBHMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClF3N2S/c1-6-4-15-7(13-6)14(3-2-9)5-8(10,11)12/h4H,2-3,5H2,1H3.
What are the key properties of N-(2-chloroethyl)-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
N-(2-chloroethyl)-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine has a molecular weight of 258.70 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 107490609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).