N-[2-fluoro-3-(1,3-thiazol-2-yl)propyl]-2-methylpropan-2-amine

C10H17FN2S — CID 107446506

IUPACN-[2-fluoro-3-(1,3-thiazol-2-yl)propyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC(F)Cc1nccs1
InChIInChI=1S/C10H17FN2S/c1-10(2,3)13-7-8(11)6-9-12-4-5-14-9/h4-5,8,13H,6-7H2,1-3H3
InChIKeyNDKNNNZHYWJFEX-UHFFFAOYSA-N
MW216.32 g/mol
LogP2.41
Rot. Bonds4

About N-[2-fluoro-3-(1,3-thiazol-2-yl)propyl]-2-methylpropan-2-amine

N-[2-fluoro-3-(1,3-thiazol-2-yl)propyl]-2-methylpropan-2-amine (PubChem CID 107446506) has the molecular formula C10H17FN2S and a molecular weight of 216.32 g/mol. Its IUPAC name is N-[2-fluoro-3-(1,3-thiazol-2-yl)propyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-fluoro-3-(1,3-thiazol-2-yl)propyl]-2-methylpropan-2-amine
PubChem CID107446506
Molecular FormulaC10H17FN2S
Molecular Weight216.32 g/mol
Exact Mass216.11
IUPAC NameN-[2-fluoro-3-(1,3-thiazol-2-yl)propyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC(F)Cc1nccs1
InChIInChI=1S/C10H17FN2S/c1-10(2,3)13-7-8(11)6-9-12-4-5-14-9/h4-5,8,13H,6-7H2,1-3H3
InChIKeyNDKNNNZHYWJFEX-UHFFFAOYSA-N
XLogP2.41
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-3-(1,3-thiazol-2-yl)propyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-fluoro-3-(1,3-thiazol-2-yl)propyl]-2-methylpropan-2-amine (CID 107446506) is N-[2-fluoro-3-(1,3-thiazol-2-yl)propyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-fluoro-3-(1,3-thiazol-2-yl)propyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-fluoro-3-(1,3-thiazol-2-yl)propyl]-2-methylpropan-2-amine is CC(C)(C)NCC(F)Cc1nccs1.
What is the InChIKey of N-[2-fluoro-3-(1,3-thiazol-2-yl)propyl]-2-methylpropan-2-amine?
The InChIKey is NDKNNNZHYWJFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN2S/c1-10(2,3)13-7-8(11)6-9-12-4-5-14-9/h4-5,8,13H,6-7H2,1-3H3.
What are the key properties of N-[2-fluoro-3-(1,3-thiazol-2-yl)propyl]-2-methylpropan-2-amine?
N-[2-fluoro-3-(1,3-thiazol-2-yl)propyl]-2-methylpropan-2-amine has a molecular weight of 216.32 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-3-(1,3-thiazol-2-yl)propyl]-2-methylpropan-2-amine is sourced from PubChem (CID 107446506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).