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

C8H8ClF3N2S — CID 83156585

IUPAC4-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESFC(F)(F)CN(c1nc(Cl)cs1)C1CC1
InChIInChI=1S/C8H8ClF3N2S/c9-6-3-15-7(13-6)14(5-1-2-5)4-8(10,11)12/h3,5H,1-2,4H2
InChIKeyHQOSFAINGZCWRC-UHFFFAOYSA-N
MW256.68 g/mol
LogP3.33
Rot. Bonds3

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

4-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (PubChem CID 83156585) has the molecular formula C8H8ClF3N2S and a molecular weight of 256.68 g/mol. Its IUPAC name is 4-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
PubChem CID83156585
Molecular FormulaC8H8ClF3N2S
Molecular Weight256.68 g/mol
Exact Mass256.00
IUPAC Name4-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESFC(F)(F)CN(c1nc(Cl)cs1)C1CC1
InChIInChI=1S/C8H8ClF3N2S/c9-6-3-15-7(13-6)14(5-1-2-5)4-8(10,11)12/h3,5H,1-2,4H2
InChIKeyHQOSFAINGZCWRC-UHFFFAOYSA-N
XLogP3.33
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.68
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (CID 83156585) is 4-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is FC(F)(F)CN(c1nc(Cl)cs1)C1CC1.
What is the InChIKey of 4-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The InChIKey is HQOSFAINGZCWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF3N2S/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-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
4-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine has a molecular weight of 256.68 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 83156585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).