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

C8H13FN2S — CID 83817805

IUPACN-[2-fluoro-1-(1,3-thiazol-5-yl)ethyl]propan-2-amine
SMILESCC(C)NC(CF)c1cncs1
InChIInChI=1S/C8H13FN2S/c1-6(2)11-7(3-9)8-4-10-5-12-8/h4-7,11H,3H2,1-2H3
InChIKeyUTJFWWUSHTTYJO-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.15
Rot. Bonds4

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

N-[2-fluoro-1-(1,3-thiazol-5-yl)ethyl]propan-2-amine (PubChem CID 83817805) has the molecular formula C8H13FN2S and a molecular weight of 188.27 g/mol. Its IUPAC name is N-[2-fluoro-1-(1,3-thiazol-5-yl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-fluoro-1-(1,3-thiazol-5-yl)ethyl]propan-2-amine
PubChem CID83817805
Molecular FormulaC8H13FN2S
Molecular Weight188.27 g/mol
Exact Mass188.08
IUPAC NameN-[2-fluoro-1-(1,3-thiazol-5-yl)ethyl]propan-2-amine
SMILESCC(C)NC(CF)c1cncs1
InChIInChI=1S/C8H13FN2S/c1-6(2)11-7(3-9)8-4-10-5-12-8/h4-7,11H,3H2,1-2H3
InChIKeyUTJFWWUSHTTYJO-UHFFFAOYSA-N
XLogP2.15
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2-Ethyl-1,3-thiazol-5-yl)methyl](methyl)amine
CID 50987848
2-(5-Ethyl-1,3-thiazol-2-yl)ethan-1-amine
CID 24274393
1-(1,3-Thiazol-5-yl)ethan-1-amine
CID 19817653
1-(2-Methyl-1,3-thiazol-5-yl)ethan-1-amine
CID 24278428
Methyl(1,3-thiazol-5-ylmethyl)amine
CID 45121664
1-(5-Ethyl-1,3-thiazol-2-yl)ethan-1-amine
CID 24274392
2-(2-Methyl-1,3-thiazol-5-yl)ethan-1-amine
CID 53719096
(1R)-1-(1,3-thiazol-5-yl)ethan-1-amine dihydrochloride
CID 71758389
Methyl(1-(1,3-thiazol-5-yl)propan-2-yl)amine
CID 112642809
1-[2-(Trifluoromethyl)-1,3-thiazol-5-yl]ethan-1-amine hydrochloride
CID 122163992
1-(1,3-Thiazol-5-yl)ethan-1-amine dihydrochloride
CID 137701377
N-[(1,3-thiazol-5-yl)methyl]cyclopropanamine hydrochloride
CID 156592108

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-1-(1,3-thiazol-5-yl)ethyl]propan-2-amine?
The IUPAC name of N-[2-fluoro-1-(1,3-thiazol-5-yl)ethyl]propan-2-amine (CID 83817805) is N-[2-fluoro-1-(1,3-thiazol-5-yl)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-fluoro-1-(1,3-thiazol-5-yl)ethyl]propan-2-amine?
The canonical SMILES for N-[2-fluoro-1-(1,3-thiazol-5-yl)ethyl]propan-2-amine is CC(C)NC(CF)c1cncs1.
What is the InChIKey of N-[2-fluoro-1-(1,3-thiazol-5-yl)ethyl]propan-2-amine?
The InChIKey is UTJFWWUSHTTYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN2S/c1-6(2)11-7(3-9)8-4-10-5-12-8/h4-7,11H,3H2,1-2H3.
What are the key properties of N-[2-fluoro-1-(1,3-thiazol-5-yl)ethyl]propan-2-amine?
N-[2-fluoro-1-(1,3-thiazol-5-yl)ethyl]propan-2-amine has a molecular weight of 188.27 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-1-(1,3-thiazol-5-yl)ethyl]propan-2-amine is sourced from PubChem (CID 83817805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).