4-(difluoromethyl)-1,3-thiazol-2-amine

C4H4F2N2S — CID 45121650

IUPAC4-(difluoromethyl)-1,3-thiazol-2-amine
SMILESNc1nc(C(F)F)cs1
InChIInChI=1S/C4H4F2N2S/c5-3(6)2-1-9-4(7)8-2/h1,3H,(H2,7,8)
InChIKeyIEBXYRIXXPDVQO-UHFFFAOYSA-N
MW150.15 g/mol
LogP1.66
Rot. Bonds1

About 4-(difluoromethyl)-1,3-thiazol-2-amine

4-(difluoromethyl)-1,3-thiazol-2-amine (PubChem CID 45121650) has the molecular formula C4H4F2N2S and a molecular weight of 150.15 g/mol. Its IUPAC name is 4-(difluoromethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(difluoromethyl)-1,3-thiazol-2-amine
PubChem CID45121650
Molecular FormulaC4H4F2N2S
Molecular Weight150.15 g/mol
Exact Mass150.01
IUPAC Name4-(difluoromethyl)-1,3-thiazol-2-amine
SMILESNc1nc(C(F)F)cs1
InChIInChI=1S/C4H4F2N2S/c5-3(6)2-1-9-4(7)8-2/h1,3H,(H2,7,8)
InChIKeyIEBXYRIXXPDVQO-UHFFFAOYSA-N
XLogP1.66
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.15
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(difluoromethyl)-1,3-thiazol-2-amine (CID 45121650) is 4-(difluoromethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(difluoromethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(difluoromethyl)-1,3-thiazol-2-amine is Nc1nc(C(F)F)cs1.
What is the InChIKey of 4-(difluoromethyl)-1,3-thiazol-2-amine?
The InChIKey is IEBXYRIXXPDVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F2N2S/c5-3(6)2-1-9-4(7)8-2/h1,3H,(H2,7,8).
What are the key properties of 4-(difluoromethyl)-1,3-thiazol-2-amine?
4-(difluoromethyl)-1,3-thiazol-2-amine has a molecular weight of 150.15 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 45121650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).