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

C5H5ClF2N2S — CID 83151845

IUPAC4-chloro-N-(2,2-difluoroethyl)-1,3-thiazol-2-amine
SMILESFC(F)CNc1nc(Cl)cs1
InChIInChI=1S/C5H5ClF2N2S/c6-3-2-11-5(10-3)9-1-4(7)8/h2,4H,1H2,(H,9,10)
InChIKeyYHAROXVYTBGGSS-UHFFFAOYSA-N
MW198.62 g/mol
LogP2.47
Rot. Bonds3

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

4-chloro-N-(2,2-difluoroethyl)-1,3-thiazol-2-amine (PubChem CID 83151845) has the molecular formula C5H5ClF2N2S and a molecular weight of 198.62 g/mol. Its IUPAC name is 4-chloro-N-(2,2-difluoroethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-chloro-N-(2,2-difluoroethyl)-1,3-thiazol-2-amine
PubChem CID83151845
Molecular FormulaC5H5ClF2N2S
Molecular Weight198.62 g/mol
Exact Mass197.98
IUPAC Name4-chloro-N-(2,2-difluoroethyl)-1,3-thiazol-2-amine
SMILESFC(F)CNc1nc(Cl)cs1
InChIInChI=1S/C5H5ClF2N2S/c6-3-2-11-5(10-3)9-1-4(7)8/h2,4H,1H2,(H,9,10)
InChIKeyYHAROXVYTBGGSS-UHFFFAOYSA-N
XLogP2.47
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.62
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,2-difluoroethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-chloro-N-(2,2-difluoroethyl)-1,3-thiazol-2-amine (CID 83151845) is 4-chloro-N-(2,2-difluoroethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-chloro-N-(2,2-difluoroethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-chloro-N-(2,2-difluoroethyl)-1,3-thiazol-2-amine is FC(F)CNc1nc(Cl)cs1.
What is the InChIKey of 4-chloro-N-(2,2-difluoroethyl)-1,3-thiazol-2-amine?
The InChIKey is YHAROXVYTBGGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClF2N2S/c6-3-2-11-5(10-3)9-1-4(7)8/h2,4H,1H2,(H,9,10).
What are the key properties of 4-chloro-N-(2,2-difluoroethyl)-1,3-thiazol-2-amine?
4-chloro-N-(2,2-difluoroethyl)-1,3-thiazol-2-amine has a molecular weight of 198.62 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,2-difluoroethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 83151845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).