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

C4H2ClF3N2S — CID 15091384

IUPAC2-chloro-4-(trifluoromethyl)-1,3-thiazol-5-amine
SMILESNc1sc(Cl)nc1C(F)(F)F
InChIInChI=1S/C4H2ClF3N2S/c5-3-10-1(2(9)11-3)4(6,7)8/h9H2
InChIKeyXWGFRLUVLURJCH-UHFFFAOYSA-N
MW202.59 g/mol
LogP2.40
Rot. Bonds

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

2-chloro-4-(trifluoromethyl)-1,3-thiazol-5-amine (PubChem CID 15091384) has the molecular formula C4H2ClF3N2S and a molecular weight of 202.59 g/mol. Its IUPAC name is 2-chloro-4-(trifluoromethyl)-1,3-thiazol-5-amine.

Molecular Properties

Compound Name2-chloro-4-(trifluoromethyl)-1,3-thiazol-5-amine
PubChem CID15091384
Molecular FormulaC4H2ClF3N2S
Molecular Weight202.59 g/mol
Exact Mass201.96
IUPAC Name2-chloro-4-(trifluoromethyl)-1,3-thiazol-5-amine
SMILESNc1sc(Cl)nc1C(F)(F)F
InChIInChI=1S/C4H2ClF3N2S/c5-3-10-1(2(9)11-3)4(6,7)8/h9H2
InChIKeyXWGFRLUVLURJCH-UHFFFAOYSA-N
XLogP2.40
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.59
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(trifluoromethyl)-1,3-thiazol-5-amine?
The IUPAC name of 2-chloro-4-(trifluoromethyl)-1,3-thiazol-5-amine (CID 15091384) is 2-chloro-4-(trifluoromethyl)-1,3-thiazol-5-amine.
What is the SMILES notation for 2-chloro-4-(trifluoromethyl)-1,3-thiazol-5-amine?
The canonical SMILES for 2-chloro-4-(trifluoromethyl)-1,3-thiazol-5-amine is Nc1sc(Cl)nc1C(F)(F)F.
What is the InChIKey of 2-chloro-4-(trifluoromethyl)-1,3-thiazol-5-amine?
The InChIKey is XWGFRLUVLURJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2ClF3N2S/c5-3-10-1(2(9)11-3)4(6,7)8/h9H2.
What are the key properties of 2-chloro-4-(trifluoromethyl)-1,3-thiazol-5-amine?
2-chloro-4-(trifluoromethyl)-1,3-thiazol-5-amine has a molecular weight of 202.59 g/mol, XLogP of 2.40, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(trifluoromethyl)-1,3-thiazol-5-amine is sourced from PubChem (CID 15091384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).