1-[2-(difluoromethyl)-1,3-thiazol-5-yl]propan-2-amine

C7H10F2N2S — CID 84772385

IUPAC1-[2-(difluoromethyl)-1,3-thiazol-5-yl]propan-2-amine
SMILESCC(N)Cc1cnc(C(F)F)s1
InChIInChI=1S/C7H10F2N2S/c1-4(10)2-5-3-11-7(12-5)6(8)9/h3-4,6H,2,10H2,1H3
InChIKeyBKSOEHZTNJYWCL-UHFFFAOYSA-N
MW192.23 g/mol
LogP1.97
Rot. Bonds3

About 1-[2-(difluoromethyl)-1,3-thiazol-5-yl]propan-2-amine

1-[2-(difluoromethyl)-1,3-thiazol-5-yl]propan-2-amine (PubChem CID 84772385) has the molecular formula C7H10F2N2S and a molecular weight of 192.23 g/mol. Its IUPAC name is 1-[2-(difluoromethyl)-1,3-thiazol-5-yl]propan-2-amine.

Molecular Properties

Compound Name1-[2-(difluoromethyl)-1,3-thiazol-5-yl]propan-2-amine
PubChem CID84772385
Molecular FormulaC7H10F2N2S
Molecular Weight192.23 g/mol
Exact Mass192.05
IUPAC Name1-[2-(difluoromethyl)-1,3-thiazol-5-yl]propan-2-amine
SMILESCC(N)Cc1cnc(C(F)F)s1
InChIInChI=1S/C7H10F2N2S/c1-4(10)2-5-3-11-7(12-5)6(8)9/h3-4,6H,2,10H2,1H3
InChIKeyBKSOEHZTNJYWCL-UHFFFAOYSA-N
XLogP1.97
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.23
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethyl)-1,3-thiazol-5-yl]propan-2-amine?
The IUPAC name of 1-[2-(difluoromethyl)-1,3-thiazol-5-yl]propan-2-amine (CID 84772385) is 1-[2-(difluoromethyl)-1,3-thiazol-5-yl]propan-2-amine.
What is the SMILES notation for 1-[2-(difluoromethyl)-1,3-thiazol-5-yl]propan-2-amine?
The canonical SMILES for 1-[2-(difluoromethyl)-1,3-thiazol-5-yl]propan-2-amine is CC(N)Cc1cnc(C(F)F)s1.
What is the InChIKey of 1-[2-(difluoromethyl)-1,3-thiazol-5-yl]propan-2-amine?
The InChIKey is BKSOEHZTNJYWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N2S/c1-4(10)2-5-3-11-7(12-5)6(8)9/h3-4,6H,2,10H2,1H3.
What are the key properties of 1-[2-(difluoromethyl)-1,3-thiazol-5-yl]propan-2-amine?
1-[2-(difluoromethyl)-1,3-thiazol-5-yl]propan-2-amine has a molecular weight of 192.23 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethyl)-1,3-thiazol-5-yl]propan-2-amine is sourced from PubChem (CID 84772385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).