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

C4H4F2N2S — CID 45121747

IUPAC2-(difluoromethyl)-1,3-thiazol-4-amine
SMILESNc1csc(C(F)F)n1
InChIInChI=1S/C4H4F2N2S/c5-3(6)4-8-2(7)1-9-4/h1,3H,7H2
InChIKeyHZVGAWJCOKUEEZ-UHFFFAOYSA-N
MW150.15 g/mol
LogP1.66
Rot. Bonds1

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

2-(difluoromethyl)-1,3-thiazol-4-amine (PubChem CID 45121747) has the molecular formula C4H4F2N2S and a molecular weight of 150.15 g/mol. Its IUPAC name is 2-(difluoromethyl)-1,3-thiazol-4-amine.

Molecular Properties

Compound Name2-(difluoromethyl)-1,3-thiazol-4-amine
PubChem CID45121747
Molecular FormulaC4H4F2N2S
Molecular Weight150.15 g/mol
Exact Mass150.01
IUPAC Name2-(difluoromethyl)-1,3-thiazol-4-amine
SMILESNc1csc(C(F)F)n1
InChIInChI=1S/C4H4F2N2S/c5-3(6)4-8-2(7)1-9-4/h1,3H,7H2
InChIKeyHZVGAWJCOKUEEZ-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 2-(difluoromethyl)-1,3-thiazol-4-amine?
The IUPAC name of 2-(difluoromethyl)-1,3-thiazol-4-amine (CID 45121747) is 2-(difluoromethyl)-1,3-thiazol-4-amine.
What is the SMILES notation for 2-(difluoromethyl)-1,3-thiazol-4-amine?
The canonical SMILES for 2-(difluoromethyl)-1,3-thiazol-4-amine is Nc1csc(C(F)F)n1.
What is the InChIKey of 2-(difluoromethyl)-1,3-thiazol-4-amine?
The InChIKey is HZVGAWJCOKUEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F2N2S/c5-3(6)4-8-2(7)1-9-4/h1,3H,7H2.
What are the key properties of 2-(difluoromethyl)-1,3-thiazol-4-amine?
2-(difluoromethyl)-1,3-thiazol-4-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 2-(difluoromethyl)-1,3-thiazol-4-amine is sourced from PubChem (CID 45121747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).