1,1-difluoro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]propan-2-amine

C9H14F2N2S — CID 102869993

IUPAC1,1-difluoro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]propan-2-amine
SMILESCc1cnc(C(C)NC(C)C(F)F)s1
InChIInChI=1S/C9H14F2N2S/c1-5-4-12-9(14-5)7(3)13-6(2)8(10)11/h4,6-8,13H,1-3H3
InChIKeyNRRZQNVNQWFVMY-UHFFFAOYSA-N
MW220.29 g/mol
LogP2.76
Rot. Bonds4

About 1,1-difluoro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]propan-2-amine

1,1-difluoro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]propan-2-amine (PubChem CID 102869993) has the molecular formula C9H14F2N2S and a molecular weight of 220.29 g/mol. Its IUPAC name is 1,1-difluoro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]propan-2-amine.

Molecular Properties

Compound Name1,1-difluoro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]propan-2-amine
PubChem CID102869993
Molecular FormulaC9H14F2N2S
Molecular Weight220.29 g/mol
Exact Mass220.08
IUPAC Name1,1-difluoro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]propan-2-amine
SMILESCc1cnc(C(C)NC(C)C(F)F)s1
InChIInChI=1S/C9H14F2N2S/c1-5-4-12-9(14-5)7(3)13-6(2)8(10)11/h4,6-8,13H,1-3H3
InChIKeyNRRZQNVNQWFVMY-UHFFFAOYSA-N
XLogP2.76
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]propan-2-amine?
The IUPAC name of 1,1-difluoro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]propan-2-amine (CID 102869993) is 1,1-difluoro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]propan-2-amine.
What is the SMILES notation for 1,1-difluoro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]propan-2-amine?
The canonical SMILES for 1,1-difluoro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]propan-2-amine is Cc1cnc(C(C)NC(C)C(F)F)s1.
What is the InChIKey of 1,1-difluoro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]propan-2-amine?
The InChIKey is NRRZQNVNQWFVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N2S/c1-5-4-12-9(14-5)7(3)13-6(2)8(10)11/h4,6-8,13H,1-3H3.
What are the key properties of 1,1-difluoro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]propan-2-amine?
1,1-difluoro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]propan-2-amine has a molecular weight of 220.29 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]propan-2-amine is sourced from PubChem (CID 102869993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).